3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile

C15H10Cl2N4OS2 — CID 133427785

IUPAC3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile
SMILESCCCn1c(Sc2snc(Cl)c2C#N)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C15H10Cl2N4OS2/c1-2-5-21-13(22)9-4-3-8(16)6-11(9)19-15(21)23-14-10(7-18)12(17)20-24-14/h3-4,6H,2,5H2,1H3
InChIKeyPNAQKUCRVPVRIQ-UHFFFAOYSA-N
MW397.31 g/mol
LogP4.59
Rot. Bonds4

About 3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile

3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile (PubChem CID 133427785) has the molecular formula C15H10Cl2N4OS2 and a molecular weight of 397.31 g/mol. Its IUPAC name is 3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile
PubChem CID133427785
Molecular FormulaC15H10Cl2N4OS2
Molecular Weight397.31 g/mol
Exact Mass395.97
IUPAC Name3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile
SMILESCCCn1c(Sc2snc(Cl)c2C#N)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C15H10Cl2N4OS2/c1-2-5-21-13(22)9-4-3-8(16)6-11(9)19-15(21)23-14-10(7-18)12(17)20-24-14/h3-4,6H,2,5H2,1H3
InChIKeyPNAQKUCRVPVRIQ-UHFFFAOYSA-N
XLogP4.59
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile
CID 2488390
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
3-chloro-5-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile
CID 133425573
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 7359666
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
7-chloro-2-methylsulfanyl-3-pentylquinazolin-4-one
CID 112777915
7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one
CID 7359679
5-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylpentanenitrile
CID 112777897
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 7738199
7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
CID 2488319
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 16510330

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile (CID 133427785) is 3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile is CCCn1c(Sc2snc(Cl)c2C#N)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile?
The InChIKey is PNAQKUCRVPVRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4OS2/c1-2-5-21-13(22)9-4-3-8(16)6-11(9)19-15(21)23-14-10(7-18)12(17)20-24-14/h3-4,6H,2,5H2,1H3.
What are the key properties of 3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile?
3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile has a molecular weight of 397.31 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133427785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).