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

C19H18FN5S — CID 44554113

IUPAC5-[8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1cc(F)ccc1-c1cc(-c2cnc(NC(C)C)s2)cn2cnnc12
InChIInChI=1S/C19H18FN5S/c1-11(2)23-19-21-8-17(26-19)13-7-16(18-24-22-10-25(18)9-13)15-5-4-14(20)6-12(15)3/h4-11H,1-3H3,(H,21,23)
InChIKeyHIMWQIZPCHVALJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.79
Rot. Bonds4

About 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

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 (PubChem CID 44554113) has the molecular formula C19H18FN5S and a molecular weight of 367.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID44554113
Molecular FormulaC19H18FN5S
Molecular Weight367.45 g/mol
Exact Mass367.13
IUPAC Name5-[8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1cc(F)ccc1-c1cc(-c2cnc(NC(C)C)s2)cn2cnnc12
InChIInChI=1S/C19H18FN5S/c1-11(2)23-19-21-8-17(26-19)13-7-16(18-24-22-10-25(18)9-13)15-5-4-14(20)6-12(15)3/h4-11H,1-3H3,(H,21,23)
InChIKeyHIMWQIZPCHVALJ-UHFFFAOYSA-N
XLogP4.79
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,3-Difluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl)-8-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58397894
N-[(3-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70695370
N-benzyl-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70682754
N-[(2-methylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70682757
N-[(3,5-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70682763
N-[(3-methylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70684836
N-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70684847
N-[(4-methylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70691169
N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70691184
N-[(3,5-difluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70695372
N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70697382
N-[(2-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70697383

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(F)ccc1-c1cc(-c2cnc(NC(C)C)s2)cn2cnnc12.
What is the InChIKey of 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?
The InChIKey is HIMWQIZPCHVALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5S/c1-11(2)23-19-21-8-17(26-19)13-7-16(18-24-22-10-25(18)9-13)15-5-4-14(20)6-12(15)3/h4-11H,1-3H3,(H,21,23).
What are the key properties of 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?
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 has a molecular weight of 367.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 44554113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).