N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C15H14N4O2S — CID 135819555

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)s1
InChIInChI=1S/C15H14N4O2S/c1-9-8-16-15(22-9)19-13(20)7-6-12-17-11-5-3-2-4-10(11)14(21)18-12/h2-5,8H,6-7H2,1H3,(H,16,19,20)(H,17,18,21)
InChIKeyCPBUYJWXNFSGGI-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.26
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135819555) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135819555
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)s1
InChIInChI=1S/C15H14N4O2S/c1-9-8-16-15(22-9)19-13(20)7-6-12-17-11-5-3-2-4-10(11)14(21)18-12/h2-5,8H,6-7H2,1H3,(H,16,19,20)(H,17,18,21)
InChIKeyCPBUYJWXNFSGGI-UHFFFAOYSA-N
XLogP2.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570381
N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711256
N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135830175
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135689544
N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767361
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135886968
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
CID 135939873
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137299581
N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135522437

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135819555) is N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is Cc1cnc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is CPBUYJWXNFSGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-9-8-16-15(22-9)19-13(20)7-6-12-17-11-5-3-2-4-10(11)14(21)18-12/h2-5,8H,6-7H2,1H3,(H,16,19,20)(H,17,18,21).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 314.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135819555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).