2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one

C19H15ClN4OS2 — CID 118711923

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one
SMILESCc1ccc2nc(Sc3sc(N)nc3C)n(-c3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C19H15ClN4OS2/c1-10-3-8-15-14(9-10)16(25)24(13-6-4-12(20)5-7-13)19(23-15)27-17-11(2)22-18(21)26-17/h3-9H,1-2H3,(H2,21,22)
InChIKeyPHYUFIRNNLULLS-UHFFFAOYSA-N
MW414.94 g/mol
LogP4.85
Rot. Bonds3

About 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one (PubChem CID 118711923) has the molecular formula C19H15ClN4OS2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one
PubChem CID118711923
Molecular FormulaC19H15ClN4OS2
Molecular Weight414.94 g/mol
Exact Mass414.04
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one
SMILESCc1ccc2nc(Sc3sc(N)nc3C)n(-c3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C19H15ClN4OS2/c1-10-3-8-15-14(9-10)16(25)24(13-6-4-12(20)5-7-13)19(23-15)27-17-11(2)22-18(21)26-17/h3-9H,1-2H3,(H2,21,22)
InChIKeyPHYUFIRNNLULLS-UHFFFAOYSA-N
XLogP4.85
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one (CID 118711923) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one is Cc1ccc2nc(Sc3sc(N)nc3C)n(-c3ccc(Cl)cc3)c(=O)c2c1.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one?
The InChIKey is PHYUFIRNNLULLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS2/c1-10-3-8-15-14(9-10)16(25)24(13-6-4-12(20)5-7-13)19(23-15)27-17-11(2)22-18(21)26-17/h3-9H,1-2H3,(H2,21,22).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one has a molecular weight of 414.94 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-3-(4-chlorophenyl)-6-methylquinazolin-4-one is sourced from PubChem (CID 118711923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).