methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate

C20H25N3O3S — CID 121065351

IUPACmethyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)CCC2CCCCC2)s1
InChIInChI=1S/C20H25N3O3S/c1-26-20(25)23-19-22-17(15-10-6-3-7-11-15)18(27-19)21-16(24)13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyBVUNQCNARBSHKC-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.29
Rot. Bonds6

About methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate

methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate (PubChem CID 121065351) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
PubChem CID121065351
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Namemethyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)CCC2CCCCC2)s1
InChIInChI=1S/C20H25N3O3S/c1-26-20(25)23-19-22-17(15-10-6-3-7-11-15)18(27-19)21-16(24)13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyBVUNQCNARBSHKC-UHFFFAOYSA-N
XLogP5.29
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate with MolForge

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Related Compounds

methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065435
methyl N-[5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065459
methyl N-[4-phenyl-5-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]-1,3-thiazol-2-yl]carbamate
CID 121065480
methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065385
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
CID 29045233
methyl N-[5-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065447
methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065395
3-cyclopentyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 16559332
2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid
CID 63614356
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate (CID 121065351) is methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(-c2ccccc2)c(NC(=O)CCC2CCCCC2)s1.
What is the InChIKey of methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is BVUNQCNARBSHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-26-20(25)23-19-22-17(15-10-6-3-7-11-15)18(27-19)21-16(24)13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate?
methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 387.51 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 121065351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).