N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide

C21H27N3O2S — CID 86888698

IUPACN'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide
SMILESCc1nc(-c2ccc(NC(=O)C(=O)NC3CCCCC3C(C)C)cc2)cs1
InChIInChI=1S/C21H27N3O2S/c1-13(2)17-6-4-5-7-18(17)24-21(26)20(25)23-16-10-8-15(9-11-16)19-12-27-14(3)22-19/h8-13,17-18H,4-7H2,1-3H3,(H,23,25)(H,24,26)
InChIKeySNEVPDTUFQCURV-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.39
Rot. Bonds4

About N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide

N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide (PubChem CID 86888698) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide.

Molecular Properties

Compound NameN'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide
PubChem CID86888698
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide
SMILESCc1nc(-c2ccc(NC(=O)C(=O)NC3CCCCC3C(C)C)cc2)cs1
InChIInChI=1S/C21H27N3O2S/c1-13(2)17-6-4-5-7-18(17)24-21(26)20(25)23-16-10-8-15(9-11-16)19-12-27-14(3)22-19/h8-13,17-18H,4-7H2,1-3H3,(H,23,25)(H,24,26)
InChIKeySNEVPDTUFQCURV-UHFFFAOYSA-N
XLogP4.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 28541004
1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 108780488
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
CID 86995839
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074
5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 122286600
N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide
CID 104953006
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119694022
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61273999

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide?
The IUPAC name of N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide (CID 86888698) is N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide.
What is the SMILES notation for N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide?
The canonical SMILES for N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide is Cc1nc(-c2ccc(NC(=O)C(=O)NC3CCCCC3C(C)C)cc2)cs1.
What is the InChIKey of N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide?
The InChIKey is SNEVPDTUFQCURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-13(2)17-6-4-5-7-18(17)24-21(26)20(25)23-16-10-8-15(9-11-16)19-12-27-14(3)22-19/h8-13,17-18H,4-7H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide?
N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide has a molecular weight of 385.53 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide is sourced from PubChem (CID 86888698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).