2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole

C16H16ClN3OS — CID 58212886

IUPAC2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2c(Cl)nc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C16H16ClN3OS/c1-8(2)11-7-22-16(18-11)15-19-13-9(3)12(21-4)6-5-10(13)14(17)20-15/h5-8H,1-4H3
InChIKeyREOKTLGXJYTSDR-UHFFFAOYSA-N
MW333.84 g/mol
LogP4.85
Rot. Bonds3

About 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole

2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole (PubChem CID 58212886) has the molecular formula C16H16ClN3OS and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
PubChem CID58212886
Molecular FormulaC16H16ClN3OS
Molecular Weight333.84 g/mol
Exact Mass333.07
IUPAC Name2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2c(Cl)nc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C16H16ClN3OS/c1-8(2)11-7-22-16(18-11)15-19-13-9(3)12(21-4)6-5-10(13)14(17)20-15/h5-8H,1-4H3
InChIKeyREOKTLGXJYTSDR-UHFFFAOYSA-N
XLogP4.85
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-6,7-dimethoxy-2-(2-thienyl)quinazoline
CID 405769
2-(8-Fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
CID 70252260
8-Fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine
CID 70252568
2-(8-Fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
CID 91804782
2-(8-Fluoro-4-iodo-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
CID 153647412
4-Chloro-7-methoxy-2-thiophen-2-ylquinazoline
CID 22124920
4-Chloro-5-methoxy-2-(2-thienyl)quinazoline
CID 22124922
4-Chloro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinoline
CID 22499291
2-(4-Chloro-7-methoxy-8-methylquinolin-2-yl)-4-isopropylthiazole
CID 51358651
2-(4,7-Dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
CID 57785173
4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 57836717
4-(7-Methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole
CID 58078434

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole (CID 58212886) is 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole is COc1ccc2c(Cl)nc(-c3nc(C(C)C)cs3)nc2c1C.
What is the InChIKey of 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is REOKTLGXJYTSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3OS/c1-8(2)11-7-22-16(18-11)15-19-13-9(3)12(21-4)6-5-10(13)14(17)20-15/h5-8H,1-4H3.
What are the key properties of 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 333.84 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-7-methoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 58212886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).