5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole

C14H12ClN3S — CID 114034043

IUPAC5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2nc(Cl)c3cccc(C)c3n2)s1
InChIInChI=1S/C14H12ClN3S/c1-7-5-4-6-10-11(7)17-14(18-13(10)15)12-8(2)16-9(3)19-12/h4-6H,1-3H3
InChIKeyAOACHRAHQXPLLB-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.33
Rot. Bonds1

About 5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole

5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole (PubChem CID 114034043) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole
PubChem CID114034043
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2nc(Cl)c3cccc(C)c3n2)s1
InChIInChI=1S/C14H12ClN3S/c1-7-5-4-6-10-11(7)17-14(18-13(10)15)12-8(2)16-9(3)19-12/h4-6H,1-3H3
InChIKeyAOACHRAHQXPLLB-UHFFFAOYSA-N
XLogP4.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline
CID 63085684
4-chloro-2,8-dimethylquinazoline
CID 71721381
4-chloro-8-methylquinazolin-2-amine
CID 10035504
4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline
CID 106860907
4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
CID 81453930
4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline
CID 63086198
4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline
CID 63084485
2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine
CID 103406366
4-chloro-2-(3-methylthiophen-2-yl)benzo[h]quinazoline
CID 114591314
4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole
CID 114031072
4-chloro-2-(5-methylthiophen-2-yl)benzo[h]quinazoline
CID 114591312
2,3-dichloro-4-fluoro-8-methylquinoline
CID 175326105

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole (CID 114034043) is 5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(-c2nc(Cl)c3cccc(C)c3n2)s1.
What is the InChIKey of 5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole?
The InChIKey is AOACHRAHQXPLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-7-5-4-6-10-11(7)17-14(18-13(10)15)12-8(2)16-9(3)19-12/h4-6H,1-3H3.
What are the key properties of 5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole?
5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole has a molecular weight of 289.79 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 114034043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).