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

C22H17N3OS2 — CID 71625653

IUPAC2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCc1nc(-c2ccc(C3Nc4ccccc4C(=O)N3c3ccccc3)s2)cs1
InChIInChI=1S/C22H17N3OS2/c1-14-23-18(13-27-14)19-11-12-20(28-19)21-24-17-10-6-5-9-16(17)22(26)25(21)15-7-3-2-4-8-15/h2-13,21,24H,1H3
InChIKeyAVBPQEDCJWOBPP-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.95
Rot. Bonds3

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

2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 71625653) has the molecular formula C22H17N3OS2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID71625653
Molecular FormulaC22H17N3OS2
Molecular Weight403.53 g/mol
Exact Mass403.08
IUPAC Name2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCc1nc(-c2ccc(C3Nc4ccccc4C(=O)N3c3ccccc3)s2)cs1
InChIInChI=1S/C22H17N3OS2/c1-14-23-18(13-27-14)19-11-12-20(28-19)21-24-17-10-6-5-9-16(17)22(26)25(21)15-7-3-2-4-8-15/h2-13,21,24H,1H3
InChIKeyAVBPQEDCJWOBPP-UHFFFAOYSA-N
XLogP5.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one (CID 71625653) is 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one is Cc1nc(-c2ccc(C3Nc4ccccc4C(=O)N3c3ccccc3)s2)cs1.
What is the InChIKey of 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is AVBPQEDCJWOBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS2/c1-14-23-18(13-27-14)19-11-12-20(28-19)21-24-17-10-6-5-9-16(17)22(26)25(21)15-7-3-2-4-8-15/h2-13,21,24H,1H3.
What are the key properties of 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one?
2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 403.53 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 71625653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).