7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one

C16H13N5OS — CID 167840700

IUPAC7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1ccc2c(c1)NC(c1csc(-c3ncccn3)n1)NC2=O
InChIInChI=1S/C16H13N5OS/c1-9-3-4-10-11(7-9)19-13(21-15(10)22)12-8-23-16(20-12)14-17-5-2-6-18-14/h2-8,13,19H,1H3,(H,21,22)
InChIKeyWZFZATARPNEEPI-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.76
Rot. Bonds2

About 7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one

7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 167840700) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID167840700
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1ccc2c(c1)NC(c1csc(-c3ncccn3)n1)NC2=O
InChIInChI=1S/C16H13N5OS/c1-9-3-4-10-11(7-9)19-13(21-15(10)22)12-8-23-16(20-12)14-17-5-2-6-18-14/h2-8,13,19H,1H3,(H,21,22)
InChIKeyWZFZATARPNEEPI-UHFFFAOYSA-N
XLogP2.76
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (CID 167840700) is 7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one is Cc1ccc2c(c1)NC(c1csc(-c3ncccn3)n1)NC2=O.
What is the InChIKey of 7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is WZFZATARPNEEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-9-3-4-10-11(7-9)19-13(21-15(10)22)12-8-23-16(20-12)14-17-5-2-6-18-14/h2-8,13,19H,1H3,(H,21,22).
What are the key properties of 7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 323.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 167840700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).