2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one

C13H12N4OS — CID 167753419

IUPAC2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one
SMILESCC(Nc1nc2ccccc2c(=O)[nH]1)c1nccs1
InChIInChI=1S/C13H12N4OS/c1-8(12-14-6-7-19-12)15-13-16-10-5-3-2-4-9(10)11(18)17-13/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyXOLUHEQUURZLBF-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.55
Rot. Bonds3

About 2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one

2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one (PubChem CID 167753419) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one
PubChem CID167753419
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one
SMILESCC(Nc1nc2ccccc2c(=O)[nH]1)c1nccs1
InChIInChI=1S/C13H12N4OS/c1-8(12-14-6-7-19-12)15-13-16-10-5-3-2-4-9(10)11(18)17-13/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyXOLUHEQUURZLBF-UHFFFAOYSA-N
XLogP2.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one
CID 136809074
(2S)-3-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]butanoic acid
CID 137098060
6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one
CID 136852743
(2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid
CID 137098064
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-3H-quinazolin-4-one
CID 137264134
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028
N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 136580210
4-oxo-N-(1,3-thiazol-2-yl)-3H-quinazoline-2-carbothioamide
CID 135745816
2-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3H-quinazolin-4-one
CID 136747967
6-chloro-2-[[(1S)-1-phenylethyl]amino]-3H-quinazolin-4-one
CID 135450956
2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one
CID 136747997
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one (CID 167753419) is 2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one is CC(Nc1nc2ccccc2c(=O)[nH]1)c1nccs1.
What is the InChIKey of 2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one?
The InChIKey is XOLUHEQUURZLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8(12-14-6-7-19-12)15-13-16-10-5-3-2-4-9(10)11(18)17-13/h2-8H,1H3,(H2,15,16,17,18).
What are the key properties of 2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one?
2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one has a molecular weight of 272.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 167753419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).