(2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

C20H22N4O2S — CID 24745328

IUPAC(2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)[C@H](CC1CCCCC1)n1cnc2ccccc2c1=O
InChIInChI=1S/C20H22N4O2S/c25-18(23-20-21-10-11-27-20)17(12-14-6-2-1-3-7-14)24-13-22-16-9-5-4-8-15(16)19(24)26/h4-5,8-11,13-14,17H,1-3,6-7,12H2,(H,21,23,25)/t17-/m0/s1
InChIKeyBFQVTQQSJVMVLN-KRWDZBQOSA-N
MW382.49 g/mol
LogP4.00
Rot. Bonds5

About (2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

(2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 24745328) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID24745328
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name(2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)[C@H](CC1CCCCC1)n1cnc2ccccc2c1=O
InChIInChI=1S/C20H22N4O2S/c25-18(23-20-21-10-11-27-20)17(12-14-6-2-1-3-7-14)24-13-22-16-9-5-4-8-15(16)19(24)26/h4-5,8-11,13-14,17H,1-3,6-7,12H2,(H,21,23,25)/t17-/m0/s1
InChIKeyBFQVTQQSJVMVLN-KRWDZBQOSA-N
XLogP4.00
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 24745328) is (2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)[C@H](CC1CCCCC1)n1cnc2ccccc2c1=O.
What is the InChIKey of (2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is BFQVTQQSJVMVLN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-18(23-20-21-10-11-27-20)17(12-14-6-2-1-3-7-14)24-13-22-16-9-5-4-8-15(16)19(24)26/h4-5,8-11,13-14,17H,1-3,6-7,12H2,(H,21,23,25)/t17-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
(2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 382.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24745328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).