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

C9H15N3OS2 — CID 104908214

IUPAC(2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCSCC[C@@H](N)C(=O)NCc1nccs1
InChIInChI=1S/C9H15N3OS2/c1-14-4-2-7(10)9(13)12-6-8-11-3-5-15-8/h3,5,7H,2,4,6,10H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyJOSQUXWCZFRBPF-SSDOTTSWSA-N
MW245.37 g/mol
LogP0.84
Rot. Bonds6

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

(2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide (PubChem CID 104908214) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide
PubChem CID104908214
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCSCC[C@@H](N)C(=O)NCc1nccs1
InChIInChI=1S/C9H15N3OS2/c1-14-4-2-7(10)9(13)12-6-8-11-3-5-15-8/h3,5,7H,2,4,6,10H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyJOSQUXWCZFRBPF-SSDOTTSWSA-N
XLogP0.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283682
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307
2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 114927829
2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
CID 61284261
(2S)-2-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-methylsulfanylbutanamide
CID 99815752
(2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 104908447
(2R)-2-amino-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 104908213
(2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 22690032
(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 78985618
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 63239940
(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283871

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide (CID 104908214) is (2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide is CSCC[C@@H](N)C(=O)NCc1nccs1.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The InChIKey is JOSQUXWCZFRBPF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N3OS2/c1-14-4-2-7(10)9(13)12-6-8-11-3-5-15-8/h3,5,7H,2,4,6,10H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
(2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide has a molecular weight of 245.37 g/mol, XLogP of 0.84, 6 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-(1,3-thiazol-2-ylmethyl)butanamide is sourced from PubChem (CID 104908214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).