(2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide

C15H19N3OS — CID 87884959

IUPAC(2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1cnc(NC(=O)[C@H](C)c2ccc(N)cc2)s1
InChIInChI=1S/C15H19N3OS/c1-9(2)13-8-17-15(20-13)18-14(19)10(3)11-4-6-12(16)7-5-11/h4-10H,16H2,1-3H3,(H,17,18,19)/t10-/m1/s1
InChIKeyKGOSREPPHWSPBK-SNVBAGLBSA-N
MW289.40 g/mol
LogP3.59
Rot. Bonds4

About (2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide

(2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 87884959) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID87884959
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1cnc(NC(=O)[C@H](C)c2ccc(N)cc2)s1
InChIInChI=1S/C15H19N3OS/c1-9(2)13-8-17-15(20-13)18-14(19)10(3)11-4-6-12(16)7-5-11/h4-10H,16H2,1-3H3,(H,17,18,19)/t10-/m1/s1
InChIKeyKGOSREPPHWSPBK-SNVBAGLBSA-N
XLogP3.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide
CID 10111250
(2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 10109895
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 22170620
3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120501562
2-acetamido-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170708
4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 53257806
1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559570
1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559540
1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559542
methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170458
4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170724

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide (CID 87884959) is (2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide is CC(C)c1cnc(NC(=O)[C@H](C)c2ccc(N)cc2)s1.
What is the InChIKey of (2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is KGOSREPPHWSPBK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9(2)13-8-17-15(20-13)18-14(19)10(3)11-4-6-12(16)7-5-11/h4-10H,16H2,1-3H3,(H,17,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
(2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 289.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 87884959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).