(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide

C13H23N3OS — CID 103833289

IUPAC(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide
SMILESCCc1cnc(C(C)NC(=O)[C@@H](N)[C@@H](C)CC)s1
InChIInChI=1S/C13H23N3OS/c1-5-8(3)11(14)12(17)16-9(4)13-15-7-10(6-2)18-13/h7-9,11H,5-6,14H2,1-4H3,(H,16,17)/t8-,9?,11-/m0/s1
InChIKeyUOMKMMVNGGHHDX-QCZWPSDZSA-N
MW269.41 g/mol
LogP2.26
Rot. Bonds6

About (2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide (PubChem CID 103833289) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide
PubChem CID103833289
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide
SMILESCCc1cnc(C(C)NC(=O)[C@@H](N)[C@@H](C)CC)s1
InChIInChI=1S/C13H23N3OS/c1-5-8(3)11(14)12(17)16-9(4)13-15-7-10(6-2)18-13/h7-9,11H,5-6,14H2,1-4H3,(H,16,17)/t8-,9?,11-/m0/s1
InChIKeyUOMKMMVNGGHHDX-QCZWPSDZSA-N
XLogP2.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide
CID 113387252
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-3-methylpentanamide
CID 119755320
(2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 103951387
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
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3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 113267212
(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 81407362
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 115679370
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 103814989
1-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115734764
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid
CID 113364270
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydroxybenzamide
CID 112696838

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide (CID 103833289) is (2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide is CCc1cnc(C(C)NC(=O)[C@@H](N)[C@@H](C)CC)s1.
What is the InChIKey of (2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide?
The InChIKey is UOMKMMVNGGHHDX-QCZWPSDZSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-8(3)11(14)12(17)16-9(4)13-15-7-10(6-2)18-13/h7-9,11H,5-6,14H2,1-4H3,(H,16,17)/t8-,9?,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide has a molecular weight of 269.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide is sourced from PubChem (CID 103833289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).