N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine

C17H11ClN4S — CID 118736892

IUPACN-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESClc1cccc(Nc2ncnc3ccc(-c4cncs4)cc23)c1
InChIInChI=1S/C17H11ClN4S/c18-12-2-1-3-13(7-12)22-17-14-6-11(16-8-19-10-23-16)4-5-15(14)20-9-21-17/h1-10H,(H,20,21,22)
InChIKeyCZTGOQSKCZVGPO-UHFFFAOYSA-N
MW338.82 g/mol
LogP5.15
Rot. Bonds3

About N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine

N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736892) has the molecular formula C17H11ClN4S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736892
Molecular FormulaC17H11ClN4S
Molecular Weight338.82 g/mol
Exact Mass338.04
IUPAC NameN-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESClc1cccc(Nc2ncnc3ccc(-c4cncs4)cc23)c1
InChIInChI=1S/C17H11ClN4S/c18-12-2-1-3-13(7-12)22-17-14-6-11(16-8-19-10-23-16)4-5-15(14)20-9-21-17/h1-10H,(H,20,21,22)
InChIKeyCZTGOQSKCZVGPO-UHFFFAOYSA-N
XLogP5.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736909
N-(4-methylphenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736897
N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine
CID 87720726
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
N-(2-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736896
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
6-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)quinazolin-4-amine
CID 69169474
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
N-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736916
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
N,6-diphenylquinazolin-4-amine
CID 86766666

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736892) is N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is Clc1cccc(Nc2ncnc3ccc(-c4cncs4)cc23)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is CZTGOQSKCZVGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4S/c18-12-2-1-3-13(7-12)22-17-14-6-11(16-8-19-10-23-16)4-5-15(14)20-9-21-17/h1-10H,(H,20,21,22).
What are the key properties of N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 338.82 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).