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

C27H22N4O3S — CID 11842422

IUPACethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2C)s1
InChIInChI=1S/C27H22N4O3S/c1-3-34-27(33)30-26-29-22(18-12-5-4-6-13-18)23(35-26)24-28-20-15-9-8-14-19(20)25(32)31(24)21-16-10-7-11-17(21)2/h4-16H,3H2,1-2H3,(H,29,30,33)
InChIKeyBNODEDJAZXLXOA-UHFFFAOYSA-N
MW482.57 g/mol
LogP6.05
Rot. Bonds5

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

ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate (PubChem CID 11842422) has the molecular formula C27H22N4O3S and a molecular weight of 482.57 g/mol. Its IUPAC name is ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
PubChem CID11842422
Molecular FormulaC27H22N4O3S
Molecular Weight482.57 g/mol
Exact Mass482.14
IUPAC Nameethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2C)s1
InChIInChI=1S/C27H22N4O3S/c1-3-34-27(33)30-26-29-22(18-12-5-4-6-13-18)23(35-26)24-28-20-15-9-8-14-19(20)25(32)31(24)21-16-10-7-11-17(21)2/h4-16H,3H2,1-2H3,(H,29,30,33)
InChIKeyBNODEDJAZXLXOA-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

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Related Compounds

ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 11842423
methyl N-[5-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 87664192
2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one
CID 11842419
N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 46933135
methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate
CID 87662820
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide
CID 87663735
3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one
CID 87663047
2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]-3-(3-methylphenyl)quinazolin-4-one
CID 11842421
2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one
CID 87663079
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate
CID 124926423

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate (CID 11842422) is ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate is CCOC(=O)Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2C)s1.
What is the InChIKey of ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is BNODEDJAZXLXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3S/c1-3-34-27(33)30-26-29-22(18-12-5-4-6-13-18)23(35-26)24-28-20-15-9-8-14-19(20)25(32)31(24)21-16-10-7-11-17(21)2/h4-16H,3H2,1-2H3,(H,29,30,33).
What are the key properties of ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate?
ethyl N-[5-[3-(2-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-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 11842422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).