2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C19H23N3O3S — CID 60615148

IUPAC2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NCc2ccc(OC3CCCCC3)cc2)cs1
InChIInChI=1S/C19H23N3O3S/c1-13(23)21-19-22-17(12-26-19)18(24)20-11-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyGAQJBPVILWQCNY-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.74
Rot. Bonds6

About 2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 60615148) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID60615148
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NCc2ccc(OC3CCCCC3)cc2)cs1
InChIInChI=1S/C19H23N3O3S/c1-13(23)21-19-22-17(12-26-19)18(24)20-11-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyGAQJBPVILWQCNY-UHFFFAOYSA-N
XLogP3.74
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 2381436
N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4879505
N-Ethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 645119
[2-(4-Methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 4519833
N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-2-oxononanediamide
CID 9822443
(2S,3S)-2-{(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl}-3-phenyl-N-(4-propionyl-1,3-thiazol-2-yl)butanamide
CID 11526671
(S)-benzyl 1-(4-(4-methoxyphenyl)thiazol-2-ylamino)-1-oxo-6-(sulfamoylamino)hexan-2-ylcarbamate
CID 44572406
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-N-(3-methoxy-propyl)-acetamide
CID 656248
3-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2-thioxoimidazolidin-4-one
CID 898321
N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 1096805
N-(4-methoxybenzyl)-1-({2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)piperidine-4-carboxamide
CID 1096818
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 60615148) is 2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NCc2ccc(OC3CCCCC3)cc2)cs1.
What is the InChIKey of 2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GAQJBPVILWQCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(23)21-19-22-17(12-26-19)18(24)20-11-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 60615148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).