N-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide

C20H25ClN4O2S2 — CID 10275865

IUPACN-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)Nc2cccc(Cl)c2)c(NC(=O)C2CCN(C(C)C)CC2)s1
InChIInChI=1S/C20H25ClN4O2S2/c1-12(2)25-9-7-13(8-10-25)17(26)24-19-16(23-20(28-3)29-19)18(27)22-15-6-4-5-14(21)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyNANMBHHYOHMPHJ-UHFFFAOYSA-N
MW453.03 g/mol
LogP4.83
Rot. Bonds6

About N-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide

N-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 10275865) has the molecular formula C20H25ClN4O2S2 and a molecular weight of 453.03 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID10275865
Molecular FormulaC20H25ClN4O2S2
Molecular Weight453.03 g/mol
Exact Mass452.11
IUPAC NameN-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)Nc2cccc(Cl)c2)c(NC(=O)C2CCN(C(C)C)CC2)s1
InChIInChI=1S/C20H25ClN4O2S2/c1-12(2)25-9-7-13(8-10-25)17(26)24-19-16(23-20(28-3)29-19)18(27)22-15-6-4-5-14(21)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyNANMBHHYOHMPHJ-UHFFFAOYSA-N
XLogP4.83
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.03
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(3-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886583
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330648
N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
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N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085539
N-(1,3-benzodioxol-5-yl)-5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330684
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170437
N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide
CID 90909832
N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947206
N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 72940470
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide (CID 10275865) is N-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide is CSc1nc(C(=O)Nc2cccc(Cl)c2)c(NC(=O)C2CCN(C(C)C)CC2)s1.
What is the InChIKey of N-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is NANMBHHYOHMPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2S2/c1-12(2)25-9-7-13(8-10-25)17(26)24-19-16(23-20(28-3)29-19)18(27)22-15-6-4-5-14(21)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,22,27)(H,24,26).
What are the key properties of N-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
N-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 453.03 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 10275865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).