ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate

C27H22N4O3S — CID 11842423

IUPACethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2cccc(C)c2)s1
InChIInChI=1S/C27H22N4O3S/c1-3-34-27(33)30-26-29-22(18-11-5-4-6-12-18)23(35-26)24-28-21-15-8-7-14-20(21)25(32)31(24)19-13-9-10-17(2)16-19/h4-16H,3H2,1-2H3,(H,29,30,33)
InChIKeyJPCJQHGVQPERKB-UHFFFAOYSA-N
MW482.57 g/mol
LogP6.05
Rot. Bonds5

About ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate

ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate (PubChem CID 11842423) has the molecular formula C27H22N4O3S and a molecular weight of 482.57 g/mol. Its IUPAC name is ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
PubChem CID11842423
Molecular FormulaC27H22N4O3S
Molecular Weight482.57 g/mol
Exact Mass482.14
IUPAC Nameethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2cccc(C)c2)s1
InChIInChI=1S/C27H22N4O3S/c1-3-34-27(33)30-26-29-22(18-11-5-4-6-12-18)23(35-26)24-28-21-15-8-7-14-20(21)25(32)31(24)19-13-9-10-17(2)16-19/h4-16H,3H2,1-2H3,(H,29,30,33)
InChIKeyJPCJQHGVQPERKB-UHFFFAOYSA-N
XLogP6.05
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]-3-(3-methylphenyl)quinazolin-4-one
CID 11842421
ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 11842422
methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate
CID 87662820
methyl N-[5-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 87664192
N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 46933135
N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide
CID 87663735
ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate
CID 124926423
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one
CID 87663079
2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-(3-methylphenyl)quinazolin-4-one
CID 11842417
ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065509
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate (CID 11842423) is ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate is CCOC(=O)Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2cccc(C)c2)s1.
What is the InChIKey of ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is JPCJQHGVQPERKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3S/c1-3-34-27(33)30-26-29-22(18-11-5-4-6-12-18)23(35-26)24-28-21-15-8-7-14-20(21)25(32)31(24)19-13-9-10-17(2)16-19/h4-16H,3H2,1-2H3,(H,29,30,33).
What are the key properties of ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate?
ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 482.57 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 11842423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).