3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide

C18H15Cl2N3OS — CID 99812966

IUPAC3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1ccncc1Cl
InChIInChI=1S/C18H15Cl2N3OS/c1-10(22-17(24)14-7-8-21-9-15(14)20)16-11(2)23-18(25-16)12-3-5-13(19)6-4-12/h3-10H,1-2H3,(H,22,24)/t10-/m1/s1
InChIKeyNGOQJJKGSJYECM-SNVBAGLBSA-N
MW392.31 g/mol
LogP5.31
Rot. Bonds4

About 3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide

3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide (PubChem CID 99812966) has the molecular formula C18H15Cl2N3OS and a molecular weight of 392.31 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide
PubChem CID99812966
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC Name3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1ccncc1Cl
InChIInChI=1S/C18H15Cl2N3OS/c1-10(22-17(24)14-7-8-21-9-15(14)20)16-11(2)23-18(25-16)12-3-5-13(19)6-4-12/h3-10H,1-2H3,(H,22,24)/t10-/m1/s1
InChIKeyNGOQJJKGSJYECM-SNVBAGLBSA-N
XLogP5.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propanamide
CID 119320638
N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
CID 95339303
1-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-(2-hydroxyethyl)urea
CID 95759999
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide
CID 86896581
2-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184523
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119778537
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119778561
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 119320634
3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide
CID 95932132
2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride
CID 119778553
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119778547
4-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylcarbamoylamino]butanoic acid
CID 122001200

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide (CID 99812966) is 3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is NGOQJJKGSJYECM-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c1-10(22-17(24)14-7-8-21-9-15(14)20)16-11(2)23-18(25-16)12-3-5-13(19)6-4-12/h3-10H,1-2H3,(H,22,24)/t10-/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide?
3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 392.31 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 99812966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).