1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one

C23H19N3OS2 — CID 71625302

IUPAC1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one
SMILESCc1nc(-c2ccc(C3N(C)c4ccccc4C(=O)N3c3ccccc3)s2)cs1
InChIInChI=1S/C23H19N3OS2/c1-15-24-18(14-28-15)20-12-13-21(29-20)22-25(2)19-11-7-6-10-17(19)23(27)26(22)16-8-4-3-5-9-16/h3-14,22H,1-2H3
InChIKeyMSOXPHTZRLAVFZ-UHFFFAOYSA-N
MW417.56 g/mol
LogP5.98
Rot. Bonds3

About 1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one

1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one (PubChem CID 71625302) has the molecular formula C23H19N3OS2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one.

Molecular Properties

Compound Name1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one
PubChem CID71625302
Molecular FormulaC23H19N3OS2
Molecular Weight417.56 g/mol
Exact Mass417.10
IUPAC Name1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one
SMILESCc1nc(-c2ccc(C3N(C)c4ccccc4C(=O)N3c3ccccc3)s2)cs1
InChIInChI=1S/C23H19N3OS2/c1-15-24-18(14-28-15)20-12-13-21(29-20)22-25(2)19-11-7-6-10-17(19)23(27)26(22)16-8-4-3-5-9-16/h3-14,22H,1-2H3
InChIKeyMSOXPHTZRLAVFZ-UHFFFAOYSA-N
XLogP5.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.56
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one?
The IUPAC name of 1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one (CID 71625302) is 1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one.
What is the SMILES notation for 1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one?
The canonical SMILES for 1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one is Cc1nc(-c2ccc(C3N(C)c4ccccc4C(=O)N3c3ccccc3)s2)cs1.
What is the InChIKey of 1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one?
The InChIKey is MSOXPHTZRLAVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS2/c1-15-24-18(14-28-15)20-12-13-21(29-20)22-25(2)19-11-7-6-10-17(19)23(27)26(22)16-8-4-3-5-9-16/h3-14,22H,1-2H3.
What are the key properties of 1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one?
1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one has a molecular weight of 417.56 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one is sourced from PubChem (CID 71625302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).