N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide

C8H14N4OS — CID 65193405

IUPACN-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCCC(CN)NC(=O)c1snnc1C
InChIInChI=1S/C8H14N4OS/c1-3-6(4-9)10-8(13)7-5(2)11-12-14-7/h6H,3-4,9H2,1-2H3,(H,10,13)
InChIKeyKUUMUHVFQGDRJK-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.31
Rot. Bonds4

About N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide

N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 65193405) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID65193405
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCCC(CN)NC(=O)c1snnc1C
InChIInChI=1S/C8H14N4OS/c1-3-6(4-9)10-8(13)7-5(2)11-12-14-7/h6H,3-4,9H2,1-2H3,(H,10,13)
InChIKeyKUUMUHVFQGDRJK-UHFFFAOYSA-N
XLogP0.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide
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N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 106183126
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 79253100
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65198611
N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide
CID 63888965
N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide
CID 80698104
N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide
CID 130667963
N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 63754459
N-(1-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671527
N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide
CID 82508904
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 115310439

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide (CID 65193405) is N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide is CCC(CN)NC(=O)c1snnc1C.
What is the InChIKey of N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is KUUMUHVFQGDRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-3-6(4-9)10-8(13)7-5(2)11-12-14-7/h6H,3-4,9H2,1-2H3,(H,10,13).
What are the key properties of N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide?
N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 65193405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).