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

C16H21N3OS — CID 61274193

IUPAC(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C16H21N3OS/c1-4-10(2)15(17)16(20)19-13-7-5-12(6-8-13)14-9-21-11(3)18-14/h5-10,15H,4,17H2,1-3H3,(H,19,20)/t10-,15-/m0/s1
InChIKeyZCXOGDLJVSPQDA-BONVTDFDSA-N
MW303.43 g/mol
LogP3.43
Rot. Bonds5

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

(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide (PubChem CID 61274193) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
PubChem CID61274193
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C16H21N3OS/c1-4-10(2)15(17)16(20)19-13-7-5-12(6-8-13)14-9-21-11(3)18-14/h5-10,15H,4,17H2,1-3H3,(H,19,20)/t10-,15-/m0/s1
InChIKeyZCXOGDLJVSPQDA-BONVTDFDSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide
CID 119676269
2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61273999
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 103794256
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide
CID 61273443
3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 106112438
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
2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide
CID 119779606
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide (CID 61274193) is (2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The InChIKey is ZCXOGDLJVSPQDA-BONVTDFDSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-10(2)15(17)16(20)19-13-7-5-12(6-8-13)14-9-21-11(3)18-14/h5-10,15H,4,17H2,1-3H3,(H,19,20)/t10-,15-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide has a molecular weight of 303.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide is sourced from PubChem (CID 61274193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).