N-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine

C90H84FN25S5 — CID 160791992

IUPACN-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3ccccc3F)c3nncn3c2)s1.CCCNc1ncc(-c2cc(-c3ccccc3)c3nncn3c2)s1.CCNc1ncc(-c2cc(-c3ccccc3)c3nncn3c2)s1.CC[C@@H](C)Nc1ncc(-c2cc(-c3ccccc3)c3nncn3c2)s1
InChIInChI=1S/C19H19N5S.C18H16FN5S.2C18H17N5S.C17H15N5S/c1-3-13(2)22-19-20-10-17(25-19)15-9-16(14-7-5-4-6-8-14)18-23-21-12-24(18)11-15;1-11(2)22-18-20-8-16(25-18)12-7-14(13-5-3-4-6-15(13)19)17-23-21-10-24(17)9-12;1-12(2)21-18-19-9-16(24-18)14-8-15(13-6-4-3-5-7-13)17-22-20-11-23(17)10-14;1-2-8-19-18-20-10-16(24-18)14-9-15(13-6-4-3-5-7-13)17-22-21-12-23(17)11-14;1-2-18-17-19-9-15(23-17)13-8-14(12-6-4-3-5-7-12)16-21-20-11-22(16)10-13/h4-13H,3H2,1-2H3,(H,20,22);3-11H,1-2H3,(H,20,22);3-12H,1-2H3,(H,19,21);3-7,9-12H,2,8H2,1H3,(H,19,20);3-11H,2H2,1H3,(H,18,19)/t13-;;;;/m1..../s1
InChIKeySBYFLQAPCJNFAS-SVZPRBGCSA-N
MW1695.17 g/mol
LogP21.84
Rot. Bonds22

About N-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine

N-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 160791992) has the molecular formula C90H84FN25S5 and a molecular weight of 1695.17 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine
PubChem CID160791992
Molecular FormulaC90H84FN25S5
Molecular Weight1695.17 g/mol
Exact Mass1693.59
IUPAC NameN-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3ccccc3F)c3nncn3c2)s1.CCCNc1ncc(-c2cc(-c3ccccc3)c3nncn3c2)s1.CCNc1ncc(-c2cc(-c3ccccc3)c3nncn3c2)s1.CC[C@@H](C)Nc1ncc(-c2cc(-c3ccccc3)c3nncn3c2)s1
InChIInChI=1S/C19H19N5S.C18H16FN5S.2C18H17N5S.C17H15N5S/c1-3-13(2)22-19-20-10-17(25-19)15-9-16(14-7-5-4-6-8-14)18-23-21-12-24(18)11-15;1-11(2)22-18-20-8-16(25-18)12-7-14(13-5-3-4-6-15(13)19)17-23-21-10-24(17)9-12;1-12(2)21-18-19-9-16(24-18)14-8-15(13-6-4-3-5-7-13)17-22-20-11-23(17)10-14;1-2-8-19-18-20-10-16(24-18)14-9-15(13-6-4-3-5-7-13)17-22-21-12-23(17)11-14;1-2-18-17-19-9-15(23-17)13-8-14(12-6-4-3-5-7-12)16-21-20-11-22(16)10-13/h4-13H,3H2,1-2H3,(H,20,22);3-11H,1-2H3,(H,20,22);3-12H,1-2H3,(H,19,21);3-7,9-12H,2,8H2,1H3,(H,19,20);3-11H,2H2,1H3,(H,18,19)/t13-;;;;/m1..../s1
InChIKeySBYFLQAPCJNFAS-SVZPRBGCSA-N
XLogP21.84
TPSA275.55 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001695.17
LogP ≤ 521.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze N-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-(8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-isopropylthiazol-2-amine
CID 44553610
5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 44553776
5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 44553937
5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 44553940
5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 44553941
5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 44553942
5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 44553943
5-[8-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 58207987
8-[3,5-bis(trifluoromethyl)phenyl]-N-[(3S,4R)-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[3,5-bis(trifluoromethyl)phenyl]-N-[(3S,4S)-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4S)-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 159156434
5-[8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 44554113
N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine;N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-4-phenyl-1,3-thiazol-2-amine
CID 88079044
N-[[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-4-methyl-1,3-thiazol-2-amine;N-[[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-5-methyl-1,3-thiazol-2-amine
CID 88079441

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine (CID 160791992) is N-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine is CC(C)Nc1ncc(-c2cc(-c3ccccc3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3ccccc3F)c3nncn3c2)s1.CCCNc1ncc(-c2cc(-c3ccccc3)c3nncn3c2)s1.CCNc1ncc(-c2cc(-c3ccccc3)c3nncn3c2)s1.CC[C@@H](C)Nc1ncc(-c2cc(-c3ccccc3)c3nncn3c2)s1.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is SBYFLQAPCJNFAS-SVZPRBGCSA-N. The full InChI is InChI=1S/C19H19N5S.C18H16FN5S.2C18H17N5S.C17H15N5S/c1-3-13(2)22-19-20-10-17(25-19)15-9-16(14-7-5-4-6-8-14)18-23-21-12-24(18)11-15;1-11(2)22-18-20-8-16(25-18)12-7-14(13-5-3-4-6-15(13)19)17-23-21-10-24(17)9-12;1-12(2)21-18-19-9-16(24-18)14-8-15(13-6-4-3-5-7-13)17-22-20-11-23(17)10-14;1-2-8-19-18-20-10-16(24-18)14-9-15(13-6-4-3-5-7-13)17-22-21-12-23(17)11-14;1-2-18-17-19-9-15(23-17)13-8-14(12-6-4-3-5-7-12)16-21-20-11-22(16)10-13/h4-13H,3H2,1-2H3,(H,20,22);3-11H,1-2H3,(H,20,22);3-12H,1-2H3,(H,19,21);3-7,9-12H,2,8H2,1H3,(H,19,20);3-11H,2H2,1H3,(H,18,19)/t13-;;;;/m1..../s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine?
N-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 1695.17 g/mol, XLogP of 21.84, 22 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;N-ethyl-5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 160791992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).