methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate

C17H14N2O2S — CID 1244319

IUPACmethyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C17H14N2O2S/c1-21-17(20)19-16-18-14(12-8-4-2-5-9-12)15(22-16)13-10-6-3-7-11-13/h2-11H,1H3,(H,18,19,20)
InChIKeyMOHGLUSZOCIQRA-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.66
Rot. Bonds3

About methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate

methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate (PubChem CID 1244319) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
PubChem CID1244319
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Namemethyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C17H14N2O2S/c1-21-17(20)19-16-18-14(12-8-4-2-5-9-12)15(22-16)13-10-6-3-7-11-13/h2-11H,1H3,(H,18,19,20)
InChIKeyMOHGLUSZOCIQRA-UHFFFAOYSA-N
XLogP4.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2281805
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
CID 43980747
methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065435
methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065385
1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea
CID 10691756
methyl N-[5-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 87664192

Frequently Asked Questions

What is the IUPAC name of methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate (CID 1244319) is methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate is COC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is MOHGLUSZOCIQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-21-17(20)19-16-18-14(12-8-4-2-5-9-12)15(22-16)13-10-6-3-7-11-13/h2-11H,1H3,(H,18,19,20).
What are the key properties of methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate?
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 310.38 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 1244319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).