7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine

C15H15ClN4OS — CID 70252454

IUPAC7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine
SMILESCOc1cc2c(N)nc(-c3nc(C(C)C)cs3)nc2cc1Cl
InChIInChI=1S/C15H15ClN4OS/c1-7(2)11-6-22-15(19-11)14-18-10-5-9(16)12(21-3)4-8(10)13(17)20-14/h4-7H,1-3H3,(H2,17,18,20)
InChIKeySPOIYZSPCIATSY-UHFFFAOYSA-N
MW334.83 g/mol
LogP4.12
Rot. Bonds3

About 7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine

7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine (PubChem CID 70252454) has the molecular formula C15H15ClN4OS and a molecular weight of 334.83 g/mol. Its IUPAC name is 7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine
PubChem CID70252454
Molecular FormulaC15H15ClN4OS
Molecular Weight334.83 g/mol
Exact Mass334.07
IUPAC Name7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine
SMILESCOc1cc2c(N)nc(-c3nc(C(C)C)cs3)nc2cc1Cl
InChIInChI=1S/C15H15ClN4OS/c1-7(2)11-6-22-15(19-11)14-18-10-5-9(16)12(21-3)4-8(10)13(17)20-14/h4-7H,1-3H3,(H2,17,18,20)
InChIKeySPOIYZSPCIATSY-UHFFFAOYSA-N
XLogP4.12
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine?
The IUPAC name of 7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine (CID 70252454) is 7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine.
What is the SMILES notation for 7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine?
The canonical SMILES for 7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine is COc1cc2c(N)nc(-c3nc(C(C)C)cs3)nc2cc1Cl.
What is the InChIKey of 7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine?
The InChIKey is SPOIYZSPCIATSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4OS/c1-7(2)11-6-22-15(19-11)14-18-10-5-9(16)12(21-3)4-8(10)13(17)20-14/h4-7H,1-3H3,(H2,17,18,20).
What are the key properties of 7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine?
7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine has a molecular weight of 334.83 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 70252454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).