(3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide

C16H18Cl2N4OS — CID 162663345

IUPAC(3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1cc(N[C@H]2CCCN(C(=O)Nc3ncc(Cl)s3)C2)ccc1Cl
InChIInChI=1S/C16H18Cl2N4OS/c1-10-7-11(4-5-13(10)17)20-12-3-2-6-22(9-12)16(23)21-15-19-8-14(18)24-15/h4-5,7-8,12,20H,2-3,6,9H2,1H3,(H,19,21,23)/t12-/m0/s1
InChIKeyGYHBCGDCJUGDBL-LBPRGKRZSA-N
MW385.32 g/mol
LogP4.87
Rot. Bonds3

About (3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide

(3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 162663345) has the molecular formula C16H18Cl2N4OS and a molecular weight of 385.32 g/mol. Its IUPAC name is (3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID162663345
Molecular FormulaC16H18Cl2N4OS
Molecular Weight385.32 g/mol
Exact Mass384.06
IUPAC Name(3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1cc(N[C@H]2CCCN(C(=O)Nc3ncc(Cl)s3)C2)ccc1Cl
InChIInChI=1S/C16H18Cl2N4OS/c1-10-7-11(4-5-13(10)17)20-12-3-2-6-22(9-12)16(23)21-15-19-8-14(18)24-15/h4-5,7-8,12,20H,2-3,6,9H2,1H3,(H,19,21,23)/t12-/m0/s1
InChIKeyGYHBCGDCJUGDBL-LBPRGKRZSA-N
XLogP4.87
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 162665615
3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
CID 162672664
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 162663101
(3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 42512757
4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide
CID 162674207
tert-butyl 3-(3,4-dichloroanilino)piperidine-1-carboxylate
CID 103648711
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 42458121
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide
CID 45245331
(3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide
CID 134359779
[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 42199059
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 162643725

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 162663345) is (3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide is Cc1cc(N[C@H]2CCCN(C(=O)Nc3ncc(Cl)s3)C2)ccc1Cl.
What is the InChIKey of (3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is GYHBCGDCJUGDBL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18Cl2N4OS/c1-10-7-11(4-5-13(10)17)20-12-3-2-6-22(9-12)16(23)21-15-19-8-14(18)24-15/h4-5,7-8,12,20H,2-3,6,9H2,1H3,(H,19,21,23)/t12-/m0/s1.
What are the key properties of (3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide?
(3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 385.32 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 162663345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).