(2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide

C20H24Cl2N4O2S — CID 93143143

IUPAC(2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CCCCN1C(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C20H24Cl2N4O2S/c1-12(2)10-23-18(27)17-5-3-4-8-26(17)19(28)16-11-29-20(25-16)24-13-6-7-14(21)15(22)9-13/h6-7,9,11-12,17H,3-5,8,10H2,1-2H3,(H,23,27)(H,24,25)/t17-/m0/s1
InChIKeyRJEOOBHBWBZYBJ-KRWDZBQOSA-N
MW455.41 g/mol
LogP4.96
Rot. Bonds6

About (2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide

(2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide (PubChem CID 93143143) has the molecular formula C20H24Cl2N4O2S and a molecular weight of 455.41 g/mol. Its IUPAC name is (2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide
PubChem CID93143143
Molecular FormulaC20H24Cl2N4O2S
Molecular Weight455.41 g/mol
Exact Mass454.10
IUPAC Name(2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CCCCN1C(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C20H24Cl2N4O2S/c1-12(2)10-23-18(27)17-5-3-4-8-26(17)19(28)16-11-29-20(25-16)24-13-6-7-14(21)15(22)9-13/h6-7,9,11-12,17H,3-5,8,10H2,1-2H3,(H,23,27)(H,24,25)/t17-/m0/s1
InChIKeyRJEOOBHBWBZYBJ-KRWDZBQOSA-N
XLogP4.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.41
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 90488367
(2R)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93305294
(2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93305293
(2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
CID 93305258
[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 4222905
N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
CID 42813267
(2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 93307139
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 42813255
N-(2-methoxyethyl)-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide
CID 42813279
1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 46137292
(2R)-1-[2-(2,3-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 93306573
1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 42795710

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide (CID 93143143) is (2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide is CC(C)CNC(=O)[C@@H]1CCCCN1C(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of (2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide?
The InChIKey is RJEOOBHBWBZYBJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24Cl2N4O2S/c1-12(2)10-23-18(27)17-5-3-4-8-26(17)19(28)16-11-29-20(25-16)24-13-6-7-14(21)15(22)9-13/h6-7,9,11-12,17H,3-5,8,10H2,1-2H3,(H,23,27)(H,24,25)/t17-/m0/s1.
What are the key properties of (2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide?
(2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide has a molecular weight of 455.41 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 93143143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).