(2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide

C9H15N3OS2 — CID 104906853

IUPAC(2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCSCC[C@@H](N)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C9H15N3OS2/c1-6-5-15-9(11-6)12-8(13)7(10)3-4-14-2/h5,7H,3-4,10H2,1-2H3,(H,11,12,13)/t7-/m1/s1
InChIKeyAOEPKKFSZMKGGO-SSDOTTSWSA-N
MW245.37 g/mol
LogP1.47
Rot. Bonds5

About (2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide

(2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 104906853) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID104906853
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCSCC[C@@H](N)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C9H15N3OS2/c1-6-5-15-9(11-6)12-8(13)7(10)3-4-14-2/h5,7H,3-4,10H2,1-2H3,(H,11,12,13)/t7-/m1/s1
InChIKeyAOEPKKFSZMKGGO-SSDOTTSWSA-N
XLogP1.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide
CID 54960202
(2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
CID 119283859
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 2679372
2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
CID 119269970
2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2463723
(2R)-2-amino-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 104908213
(2S)-2-amino-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 119267011
(2R)-2-amino-N-(1,3-benzothiazol-2-yl)-4-methylsulfanylbutanamide
CID 104906860
2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 65225533
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119276819
(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-4-methylsulfanylbutanamide;hydrochloride
CID 119329715
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 104906853) is (2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide is CSCC[C@@H](N)C(=O)Nc1nc(C)cs1.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is AOEPKKFSZMKGGO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N3OS2/c1-6-5-15-9(11-6)12-8(13)7(10)3-4-14-2/h5,7H,3-4,10H2,1-2H3,(H,11,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
(2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 245.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 104906853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).