2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide

C7H12N4OS — CID 130171145

IUPAC2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide
SMILESCC(C)C(N)C(=O)Nc1cnns1
InChIInChI=1S/C7H12N4OS/c1-4(2)6(8)7(12)10-5-3-9-11-13-5/h3-4,6H,8H2,1-2H3,(H,10,12)
InChIKeyBXIMAUIGRMHCBB-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.46
Rot. Bonds3

About 2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide

2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide (PubChem CID 130171145) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide
PubChem CID130171145
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide
SMILESCC(C)C(N)C(=O)Nc1cnns1
InChIInChI=1S/C7H12N4OS/c1-4(2)6(8)7(12)10-5-3-9-11-13-5/h3-4,6H,8H2,1-2H3,(H,10,12)
InChIKeyBXIMAUIGRMHCBB-UHFFFAOYSA-N
XLogP0.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(thiadiazol-5-yl)butanamide
CID 104982933
(2R)-2-methylsulfanyl-N-(thiadiazol-5-yl)propanamide
CID 99794343
6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide
CID 114912212
2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide
CID 114172145
2-ethoxy-N-(thiadiazol-5-yl)propanamide
CID 102562411
6-amino-4-ethyl-N-(thiadiazol-5-yl)hexanamide
CID 114912286
(2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine
CID 70574424
ethyl N-(thiadiazol-5-yl)carbamate
CID 12707508
2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide
CID 119317714
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119884719
(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide
CID 119329732

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide (CID 130171145) is 2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide is CC(C)C(N)C(=O)Nc1cnns1.
What is the InChIKey of 2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide?
The InChIKey is BXIMAUIGRMHCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-4(2)6(8)7(12)10-5-3-9-11-13-5/h3-4,6H,8H2,1-2H3,(H,10,12).
What are the key properties of 2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide?
2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide has a molecular weight of 200.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide is sourced from PubChem (CID 130171145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).