N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide

C20H16N4O2S — CID 135899747

IUPACN-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H16N4O2S/c1-24(11-17-21-15-10-6-5-9-14(15)18(25)23-17)20(26)16-12-27-19(22-16)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,23,25)
InChIKeySFAMSBFEUWJFQX-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.32
Rot. Bonds4

About N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 135899747) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID135899747
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H16N4O2S/c1-24(11-17-21-15-10-6-5-9-14(15)18(25)23-17)20(26)16-12-27-19(22-16)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,23,25)
InChIKeySFAMSBFEUWJFQX-UHFFFAOYSA-N
XLogP3.32
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 137296733
1-methyl-3-(2-methylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135687276
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135941989
N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135570319
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135886880
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135875449
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135892380
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea
CID 135570435

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 135899747) is N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is SFAMSBFEUWJFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-24(11-17-21-15-10-6-5-9-14(15)18(25)23-17)20(26)16-12-27-19(22-16)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,23,25).
What are the key properties of N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 135899747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).