3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one

C19H15ClN4OS — CID 25017848

IUPAC3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one
SMILESCNc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H15ClN4OS/c1-11-16(26-19(21-2)22-11)17-23-15-6-4-3-5-14(15)18(25)24(17)13-9-7-12(20)8-10-13/h3-10H,1-2H3,(H,21,22)
InChIKeyAYXWCPYBVSRVPO-UHFFFAOYSA-N
MW382.88 g/mol
LogP4.51
Rot. Bonds3

About 3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one

3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one (PubChem CID 25017848) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one
PubChem CID25017848
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC Name3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one
SMILESCNc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H15ClN4OS/c1-11-16(26-19(21-2)22-11)17-23-15-6-4-3-5-14(15)18(25)24(17)13-9-7-12(20)8-10-13/h3-10H,1-2H3,(H,21,22)
InChIKeyAYXWCPYBVSRVPO-UHFFFAOYSA-N
XLogP4.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one (CID 25017848) is 3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one is CNc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one?
The InChIKey is AYXWCPYBVSRVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c1-11-16(26-19(21-2)22-11)17-23-15-6-4-3-5-14(15)18(25)24(17)13-9-7-12(20)8-10-13/h3-10H,1-2H3,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one?
3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one has a molecular weight of 382.88 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one is sourced from PubChem (CID 25017848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).