3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid

C10H15N3O3S — CID 65220608

IUPAC3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
SMILESCc1nnsc1C(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C10H15N3O3S/c1-5(2)7(10(15)16)4-11-9(14)8-6(3)12-13-17-8/h5,7H,4H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyRIYBORBFZIIZOQ-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.93
Rot. Bonds5

About 3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid

3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid (PubChem CID 65220608) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
PubChem CID65220608
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
SMILESCc1nnsc1C(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C10H15N3O3S/c1-5(2)7(10(15)16)4-11-9(14)8-6(3)12-13-17-8/h5,7H,4H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyRIYBORBFZIIZOQ-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65214959
4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide
CID 9089953
3-methyl-2-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65215342
N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide
CID 102979948
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
CID 115427027
N-(3-bromobutyl)-4-methylthiadiazole-5-carboxamide
CID 114312469
N-(2-bromo-3-methoxypropyl)-4-methylthiadiazole-5-carboxamide
CID 114309922
N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 79253100
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 113439190
3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206184
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65198611

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid (CID 65220608) is 3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid is Cc1nnsc1C(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid?
The InChIKey is RIYBORBFZIIZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-5(2)7(10(15)16)4-11-9(14)8-6(3)12-13-17-8/h5,7H,4H2,1-3H3,(H,11,14)(H,15,16).
What are the key properties of 3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid?
3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid has a molecular weight of 257.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65220608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).