(2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one

C16H13N3OS2 — CID 52529924

IUPAC(2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccccc2C(=O)N[C@@H]1c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H13N3OS2/c1-19-13-5-3-2-4-11(13)15(20)18-14(19)12-9-22-16(17-12)10-6-7-21-8-10/h2-9,14H,1H3,(H,18,20)/t14-/m0/s1
InChIKeyFFVSXYDJVVSKGR-AWEZNQCLSA-N
MW327.43 g/mol
LogP3.75
Rot. Bonds2

About (2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one

(2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one (PubChem CID 52529924) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one
PubChem CID52529924
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC Name(2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccccc2C(=O)N[C@@H]1c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H13N3OS2/c1-19-13-5-3-2-4-11(13)15(20)18-14(19)12-9-22-16(17-12)10-6-7-21-8-10/h2-9,14H,1H3,(H,18,20)/t14-/m0/s1
InChIKeyFFVSXYDJVVSKGR-AWEZNQCLSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one with MolForge

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Related Compounds

2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 18281605
(2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 25347209
2-(4-bromothiophen-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 2799214
4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole
CID 104853421
2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 139019578
8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 86928521
(2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 25350895
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 42938244
4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole
CID 52517778
(2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 139148239
(2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 40809665
(4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 51266752

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one?
The IUPAC name of (2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one (CID 52529924) is (2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one is CN1c2ccccc2C(=O)N[C@@H]1c1csc(-c2ccsc2)n1.
What is the InChIKey of (2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one?
The InChIKey is FFVSXYDJVVSKGR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13N3OS2/c1-19-13-5-3-2-4-11(13)15(20)18-14(19)12-9-22-16(17-12)10-6-7-21-8-10/h2-9,14H,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one?
(2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one has a molecular weight of 327.43 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 52529924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).