(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

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Related Compounds

N-(2-methyl-5-(methylcarbamoyl)phenyl)-2-(((1R)-1-methylpropyl)amino)-1,3-thiazole-5-carboxamide
CID 11427975
2-[6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829002
2-[8-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829038
2-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829043
2-[5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829044
2-[6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxopyrido[3,2-d]pyrimidin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829060
2-nitro-N-1,3-thiazol-2-ylbenzamide
CID 670500
2-(1-oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide
CID 45370166
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 2559025
2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 4799453
4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,3-thiazol-2-yl)benzamide
CID 70683717
2-((3-(3-(Dimethylamino)propyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2440919

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).