(2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

C21H24N4O2S — CID 71579644

IUPAC(2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc2ncn([C@@H](CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2c1
InChIInChI=1S/C21H24N4O2S/c1-14-7-8-17-16(11-14)20(27)25(13-23-17)18(12-15-5-3-2-4-6-15)19(26)24-21-22-9-10-28-21/h7-11,13,15,18H,2-6,12H2,1H3,(H,22,24,26)/t18-/m0/s1
InChIKeyBNNFFESNNWERGJ-SFHVURJKSA-N
MW396.52 g/mol
LogP4.31
Rot. Bonds5

About (2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

(2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 71579644) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID71579644
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name(2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc2ncn([C@@H](CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2c1
InChIInChI=1S/C21H24N4O2S/c1-14-7-8-17-16(11-14)20(27)25(13-23-17)18(12-15-5-3-2-4-6-15)19(26)24-21-22-9-10-28-21/h7-11,13,15,18H,2-6,12H2,1H3,(H,22,24,26)/t18-/m0/s1
InChIKeyBNNFFESNNWERGJ-SFHVURJKSA-N
XLogP4.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 71579644) is (2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is Cc1ccc2ncn([C@@H](CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2c1.
What is the InChIKey of (2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is BNNFFESNNWERGJ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14-7-8-17-16(11-14)20(27)25(13-23-17)18(12-15-5-3-2-4-6-15)19(26)24-21-22-9-10-28-21/h7-11,13,15,18H,2-6,12H2,1H3,(H,22,24,26)/t18-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
(2S)-3-cyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 396.52 g/mol, XLogP of 4.31, 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-(6-methyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 71579644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).