(2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid

C10H15N3O3S — CID 28777211

IUPAC(2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
SMILESCc1nnsc1C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-5(2)4-7(10(15)16)11-9(14)8-6(3)12-13-17-8/h5,7H,4H2,1-3H3,(H,11,14)(H,15,16)/t7-/m0/s1
InChIKeySLPJOVUKVUUYSM-ZETCQYMHSA-N
MW257.31 g/mol
LogP1.08
Rot. Bonds5

About (2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid

(2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid (PubChem CID 28777211) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
PubChem CID28777211
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name(2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
SMILESCc1nnsc1C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-5(2)4-7(10(15)16)11-9(14)8-6(3)12-13-17-8/h5,7H,4H2,1-3H3,(H,11,14)(H,15,16)/t7-/m0/s1
InChIKeySLPJOVUKVUUYSM-ZETCQYMHSA-N
XLogP1.08
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate
CID 60693506
2-Methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 46948531
N-(1-ethyl-2-hydroxyethyl)(4-methyl(1,2,3-thiadiazol-5-yl))carboxamide
CID 6852055
N-[(1-hydroxycyclopentyl)methyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 49754470
4-methyl-N-(4-methylpentan-2-yl)thiadiazole-5-carboxamide
CID 154312886
N-[(2S)-1-hydroxybutan-2-yl]-4-methylthiadiazole-5-carboxamide
CID 7293411
N-[(2R)-1-hydroxybutan-2-yl]-4-methylthiadiazole-5-carboxamide
CID 7293412
6-[(4-Methylthiadiazole-5-carbonyl)amino]hexanoic acid
CID 28776981
(2R)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 28777208
(2R)-4-methylsulfanyl-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid
CID 28777285
(2S)-4-methylsulfanyl-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid
CID 28777287
(2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid
CID 28777376

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid (CID 28777211) is (2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid is Cc1nnsc1C(=O)N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is SLPJOVUKVUUYSM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-5(2)4-7(10(15)16)11-9(14)8-6(3)12-13-17-8/h5,7H,4H2,1-3H3,(H,11,14)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid?
(2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 28777211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).