5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine

C59H67F4N9S3 — CID 144794172

IUPAC5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine
SMILESCC.CC.CCCNc1ncc(-c2cccnc2-c2ccc(F)cc2C(F)(F)F)s1.CCCNc1ncc(-c2cccnc2-c2cccc(C)c2C)s1.CCCNc1ncc(-c2cccnc2-c2ccccc2C)s1
InChIInChI=1S/C19H21N3S.C18H15F4N3S.C18H19N3S.2C2H6/c1-4-10-21-19-22-12-17(23-19)16-9-6-11-20-18(16)15-8-5-7-13(2)14(15)3;1-2-7-24-17-25-10-15(26-17)13-4-3-8-23-16(13)12-6-5-11(19)9-14(12)18(20,21)22;1-3-10-20-18-21-12-16(22-18)15-9-6-11-19-17(15)14-8-5-4-7-13(14)2;2*1-2/h5-9,11-12H,4,10H2,1-3H3,(H,21,22);3-6,8-10H,2,7H2,1H3,(H,24,25);4-9,11-12H,3,10H2,1-2H3,(H,20,21);2*1-2H3
InChIKeyBSWYMSYXQJVNQS-UHFFFAOYSA-N
MW1074.44 g/mol
LogP18.22
Rot. Bonds15

About 5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine

5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 144794172) has the molecular formula C59H67F4N9S3 and a molecular weight of 1074.44 g/mol. Its IUPAC name is 5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID144794172
Molecular FormulaC59H67F4N9S3
Molecular Weight1074.44 g/mol
Exact Mass1073.46
IUPAC Name5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine
SMILESCC.CC.CCCNc1ncc(-c2cccnc2-c2ccc(F)cc2C(F)(F)F)s1.CCCNc1ncc(-c2cccnc2-c2cccc(C)c2C)s1.CCCNc1ncc(-c2cccnc2-c2ccccc2C)s1
InChIInChI=1S/C19H21N3S.C18H15F4N3S.C18H19N3S.2C2H6/c1-4-10-21-19-22-12-17(23-19)16-9-6-11-20-18(16)15-8-5-7-13(2)14(15)3;1-2-7-24-17-25-10-15(26-17)13-4-3-8-23-16(13)12-6-5-11(19)9-14(12)18(20,21)22;1-3-10-20-18-21-12-16(22-18)15-9-6-11-19-17(15)14-8-5-4-7-13(14)2;2*1-2/h5-9,11-12H,4,10H2,1-3H3,(H,21,22);3-6,8-10H,2,7H2,1H3,(H,24,25);4-9,11-12H,3,10H2,1-2H3,(H,20,21);2*1-2H3
InChIKeyBSWYMSYXQJVNQS-UHFFFAOYSA-N
XLogP18.22
TPSA113.43 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001074.44
LogP ≤ 518.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine
CID 144794189
5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812124
3-[3-[3-[2-(ethylamino)-1,3-thiazol-5-yl]-2-pyridinyl]-2-methylphenyl]-5-[2-(4-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-3-ium-2-amine
CID 123314834
5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812125
5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine
CID 116812134
5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-[2-ethenyl-3-[3-[2-(propylamino)-1,3-thiazol-5-yl]-2-pyridinyl]phenyl]-N-propyl-1,3-thiazol-3-ium-2-amine
CID 123596511
5-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116811974
N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine
CID 116812140
5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812191
N-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine
CID 143922412
N-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine
CID 116812161
5-[3-(2-chlorophenyl)-1-methylpyridin-1-ium-4-yl]-N-propyl-1,3-thiazol-2-amine
CID 144794166

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine (CID 144794172) is 5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine is CC.CC.CCCNc1ncc(-c2cccnc2-c2ccc(F)cc2C(F)(F)F)s1.CCCNc1ncc(-c2cccnc2-c2cccc(C)c2C)s1.CCCNc1ncc(-c2cccnc2-c2ccccc2C)s1.
What is the InChIKey of 5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is BSWYMSYXQJVNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S.C18H15F4N3S.C18H19N3S.2C2H6/c1-4-10-21-19-22-12-17(23-19)16-9-6-11-20-18(16)15-8-5-7-13(2)14(15)3;1-2-7-24-17-25-10-15(26-17)13-4-3-8-23-16(13)12-6-5-11(19)9-14(12)18(20,21)22;1-3-10-20-18-21-12-16(22-18)15-9-6-11-19-17(15)14-8-5-4-7-13(14)2;2*1-2/h5-9,11-12H,4,10H2,1-3H3,(H,21,22);3-6,8-10H,2,7H2,1H3,(H,24,25);4-9,11-12H,3,10H2,1-2H3,(H,20,21);2*1-2H3.
What are the key properties of 5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine?
5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 1074.44 g/mol, XLogP of 18.22, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 144794172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).