(2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide

C21H24N4O2S — CID 24745490

IUPAC(2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1cnc(NC(=O)[C@H](CC2CCCCC2)n2cnc3ccccc3c2=O)s1
InChIInChI=1S/C21H24N4O2S/c1-14-12-22-21(28-14)24-19(26)18(11-15-7-3-2-4-8-15)25-13-23-17-10-6-5-9-16(17)20(25)27/h5-6,9-10,12-13,15,18H,2-4,7-8,11H2,1H3,(H,22,24,26)/t18-/m0/s1
InChIKeyYETYOUQZCJELRL-SFHVURJKSA-N
MW396.52 g/mol
LogP4.31
Rot. Bonds5

About (2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide

(2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 24745490) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
PubChem CID24745490
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name(2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1cnc(NC(=O)[C@H](CC2CCCCC2)n2cnc3ccccc3c2=O)s1
InChIInChI=1S/C21H24N4O2S/c1-14-12-22-21(28-14)24-19(26)18(11-15-7-3-2-4-8-15)25-13-23-17-10-6-5-9-16(17)20(25)27/h5-6,9-10,12-13,15,18H,2-4,7-8,11H2,1H3,(H,22,24,26)/t18-/m0/s1
InChIKeyYETYOUQZCJELRL-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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Related Compounds

3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide
CID 57461514
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 58967479
2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 57461506
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-quinolin-2-ylpropanamide
CID 57461552
(2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide
CID 24745493
3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 87419743
6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide
CID 57461512
3-[1-[(5-carbamoyl-2-pyridinyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-N-cyclopropyl-4-oxoquinazoline-7-carboxamide
CID 57461531
N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide
CID 24744219
N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 4907134
(2S)-N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7633398
3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 142933315

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of (2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide (CID 24745490) is (2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for (2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for (2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide is Cc1cnc(NC(=O)[C@H](CC2CCCCC2)n2cnc3ccccc3c2=O)s1.
What is the InChIKey of (2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is YETYOUQZCJELRL-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14-12-22-21(28-14)24-19(26)18(11-15-7-3-2-4-8-15)25-13-23-17-10-6-5-9-16(17)20(25)27/h5-6,9-10,12-13,15,18H,2-4,7-8,11H2,1H3,(H,22,24,26)/t18-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide?
(2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-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-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 24745490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).