N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide

C18H20ClN3O2S — CID 1468167

IUPACN-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C2CCCCC2)sc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O2S/c1-11-15(17(24)21-14-9-7-13(19)8-10-14)25-18(20-11)22-16(23)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyPCEFGLKKYVZAQB-UHFFFAOYSA-N
MW377.90 g/mol
LogP4.88
Rot. Bonds4

About N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide

N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 1468167) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID1468167
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC NameN-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C2CCCCC2)sc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O2S/c1-11-15(17(24)21-14-9-7-13(19)8-10-14)25-18(20-11)22-16(23)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyPCEFGLKKYVZAQB-UHFFFAOYSA-N
XLogP4.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53338422
2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468236
2-(adamantane-1-carbonylamino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 5116709
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
N-(4-chlorophenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide
CID 1468155
1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897556
methyl 4-[[2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16897633
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87544054
ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266782
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944691

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide (CID 1468167) is N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)C2CCCCC2)sc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PCEFGLKKYVZAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-11-15(17(24)21-14-9-7-13(19)8-10-14)25-18(20-11)22-16(23)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 377.90 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1468167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).