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

C15H19N3OS — CID 61173914

IUPAC(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C15H19N3OS/c1-3-10(2)13(16)14(19)18-12-6-4-5-11(9-12)15-17-7-8-20-15/h4-10,13H,3,16H2,1-2H3,(H,18,19)/t10?,13-/m0/s1
InChIKeyQEDWZAAMRVTXKG-HQVZTVAUSA-N
MW289.40 g/mol
LogP3.12
Rot. Bonds5

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

(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide (PubChem CID 61173914) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide
PubChem CID61173914
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C15H19N3OS/c1-3-10(2)13(16)14(19)18-12-6-4-5-11(9-12)15-17-7-8-20-15/h4-10,13H,3,16H2,1-2H3,(H,18,19)/t10?,13-/m0/s1
InChIKeyQEDWZAAMRVTXKG-HQVZTVAUSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 61180169
2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 54862805
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 65230148
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62838310
2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
2-(2,4-dichlorophenoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55817441
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62834909
4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 47353616
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide (CID 61173914) is (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide is CCC(C)[C@H](N)C(=O)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide?
The InChIKey is QEDWZAAMRVTXKG-HQVZTVAUSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-10(2)13(16)14(19)18-12-6-4-5-11(9-12)15-17-7-8-20-15/h4-10,13H,3,16H2,1-2H3,(H,18,19)/t10?,13-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide?
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide has a molecular weight of 289.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide is sourced from PubChem (CID 61173914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).