(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide

C15H19N3OS — CID 103794256

IUPAC(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C15H19N3OS/c1-3-4-13(16)15(19)18-12-7-5-11(6-8-12)14-9-20-10(2)17-14/h5-9,13H,3-4,16H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyPKPFRYRAGUFBHZ-CYBMUJFWSA-N
MW289.40 g/mol
LogP3.18
Rot. Bonds5

About (2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide

(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide (PubChem CID 103794256) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
PubChem CID103794256
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C15H19N3OS/c1-3-4-13(16)15(19)18-12-7-5-11(6-8-12)14-9-20-10(2)17-14/h5-9,13H,3-4,16H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyPKPFRYRAGUFBHZ-CYBMUJFWSA-N
XLogP3.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61273999
2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide
CID 61273443
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 106112438
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119694022
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
(2S)-2-amino-4-methylsulfanyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119270939
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide (CID 103794256) is (2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide is CCC[C@@H](N)C(=O)Nc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of (2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The InChIKey is PKPFRYRAGUFBHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-4-13(16)15(19)18-12-7-5-11(6-8-12)14-9-20-10(2)17-14/h5-9,13H,3-4,16H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide has a molecular weight of 289.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide is sourced from PubChem (CID 103794256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).