(2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid

C12H19N3O3S — CID 65206035

IUPAC(2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1snnc1C(C)(C)C)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-6(2)7(11(17)18)13-10(16)8-9(12(3,4)5)14-15-19-8/h6-7H,1-5H3,(H,13,16)(H,17,18)/t7-/m0/s1
InChIKeyAHRFUMCXYBNVHF-ZETCQYMHSA-N
MW285.37 g/mol
LogP1.67
Rot. Bonds4

About (2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid

(2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 65206035) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid
PubChem CID65206035
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1snnc1C(C)(C)C)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-6(2)7(11(17)18)13-10(16)8-9(12(3,4)5)14-15-19-8/h6-7H,1-5H3,(H,13,16)(H,17,18)/t7-/m0/s1
InChIKeyAHRFUMCXYBNVHF-ZETCQYMHSA-N
XLogP1.67
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate
CID 65210597
3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206184
4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide
CID 83057848
N-(2-bromo-3-methylbutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 113492979
4-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiadiazole-5-carboxamide
CID 106512263
(2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid
CID 104964709
N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide
CID 80698104
4-[(4-tert-butylthiadiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 65205797
4-tert-butyl-N-(4-chloropentyl)thiadiazole-5-carboxamide
CID 106129514
4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide
CID 65204875
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65198611
4-tert-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]thiadiazole-5-carboxamide
CID 107866649

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid (CID 65206035) is (2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid is CC(C)[C@H](NC(=O)c1snnc1C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is AHRFUMCXYBNVHF-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-6(2)7(11(17)18)13-10(16)8-9(12(3,4)5)14-15-19-8/h6-7H,1-5H3,(H,13,16)(H,17,18)/t7-/m0/s1.
What are the key properties of (2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid?
(2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 285.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 65206035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).