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

C13H10N4O2S — CID 135860483

IUPACN-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1nc2ccccc2c(=O)[nH]1)c1cscn1
InChIInChI=1S/C13H10N4O2S/c18-12-8-3-1-2-4-9(8)16-11(17-12)5-14-13(19)10-6-20-7-15-10/h1-4,6-7H,5H2,(H,14,19)(H,16,17,18)
InChIKeyQPZYGSPBSBAPEK-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.31
Rot. Bonds3

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

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 135860483) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID135860483
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1nc2ccccc2c(=O)[nH]1)c1cscn1
InChIInChI=1S/C13H10N4O2S/c18-12-8-3-1-2-4-9(8)16-11(17-12)5-14-13(19)10-6-20-7-15-10/h1-4,6-7H,5H2,(H,14,19)(H,16,17,18)
InChIKeyQPZYGSPBSBAPEK-UHFFFAOYSA-N
XLogP1.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135654390
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 103775064
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 136706433
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 135990311
(3S)-6,6-dimethyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 137036840
N-[(4-carbamothioylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63022697
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
CID 136663685
1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 167985401
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136967913
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62045664
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 135860483) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1nc2ccccc2c(=O)[nH]1)c1cscn1.
What is the InChIKey of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QPZYGSPBSBAPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-12-8-3-1-2-4-9(8)16-11(17-12)5-14-13(19)10-6-20-7-15-10/h1-4,6-7H,5H2,(H,14,19)(H,16,17,18).
What are the key properties of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 135860483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).