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

C20H16N4O3S — CID 87662820

IUPACmethyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2ccccc2)s1
InChIInChI=1S/C20H16N4O3S/c1-12-16(28-19(21-12)23-20(26)27-2)17-22-15-11-7-6-10-14(15)18(25)24(17)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,21,23,26)
InChIKeyBJVWUPYMNVYDND-UHFFFAOYSA-N
MW392.44 g/mol
LogP4.00
Rot. Bonds3

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

methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate (PubChem CID 87662820) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate
PubChem CID87662820
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Namemethyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2ccccc2)s1
InChIInChI=1S/C20H16N4O3S/c1-12-16(28-19(21-12)23-20(26)27-2)17-22-15-11-7-6-10-14(15)18(25)24(17)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,21,23,26)
InChIKeyBJVWUPYMNVYDND-UHFFFAOYSA-N
XLogP4.00
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one
CID 42631932
methyl N-[5-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 87664192
ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 11842423
N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 46933135
ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 11842422
2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-(3-methylphenyl)quinazolin-4-one
CID 11842417
N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide
CID 87663735
2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one
CID 87663079
3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one
CID 90762569
2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]-3-(3-methylphenyl)quinazolin-4-one
CID 11842421
ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate
CID 124926423
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate (CID 87662820) is methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2ccccc2)s1.
What is the InChIKey of methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is BJVWUPYMNVYDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-12-16(28-19(21-12)23-20(26)27-2)17-22-15-11-7-6-10-14(15)18(25)24(17)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,21,23,26).
What are the key properties of methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate?
methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 392.44 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 87662820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).