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

C26H23N3O3S — CID 121065435

IUPACmethyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)CC(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C26H23N3O3S/c1-32-26(31)29-25-28-23(20-15-9-4-10-16-20)24(33-25)27-22(30)17-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3,(H,27,30)(H,28,29,31)
InChIKeyIFOLMZQYJZBCJX-UHFFFAOYSA-N
MW457.56 g/mol
LogP6.15
Rot. Bonds7

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

methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate (PubChem CID 121065435) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
PubChem CID121065435
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Namemethyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)CC(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C26H23N3O3S/c1-32-26(31)29-25-28-23(20-15-9-4-10-16-20)24(33-25)27-22(30)17-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3,(H,27,30)(H,28,29,31)
InChIKeyIFOLMZQYJZBCJX-UHFFFAOYSA-N
XLogP6.15
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065459
methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065421
methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065385
methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065351
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
methyl N-[4-phenyl-5-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]-1,3-thiazol-2-yl]carbamate
CID 121065480
methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065395
methyl N-[5-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065447
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 108738339
methyl N-[5-[[(Z)-3-(4-nitrophenyl)prop-2-enoyl]amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065466

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate (CID 121065435) is methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(-c2ccccc2)c(NC(=O)CC(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is IFOLMZQYJZBCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-32-26(31)29-25-28-23(20-15-9-4-10-16-20)24(33-25)27-22(30)17-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3,(H,27,30)(H,28,29,31).
What are the key properties of methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate?
methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 457.56 g/mol, XLogP of 6.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 121065435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).