N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide

C9H14N4OS — CID 103352583

IUPACN-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1(N)CCC1
InChIInChI=1S/C9H14N4OS/c1-6-7(15-13-12-6)8(14)11-5-9(10)3-2-4-9/h2-5,10H2,1H3,(H,11,14)
InChIKeyOXOGSLMIRGMMIS-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.46
Rot. Bonds3

About N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide

N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 103352583) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID103352583
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1(N)CCC1
InChIInChI=1S/C9H14N4OS/c1-6-7(15-13-12-6)8(14)11-5-9(10)3-2-4-9/h2-5,10H2,1H3,(H,11,14)
InChIKeyOXOGSLMIRGMMIS-UHFFFAOYSA-N
XLogP0.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 43600601
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 134160606
2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
CID 115427027
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide
CID 102999194
4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 62541807
1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81361690
4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide
CID 154862352
N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide
CID 63888965
N-(3-bromobutyl)-4-methylthiadiazole-5-carboxamide
CID 114312469
3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65220608
N-cyano-4-methylthiadiazole-5-carboxamide
CID 79195320

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide (CID 103352583) is N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC1(N)CCC1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is OXOGSLMIRGMMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-7(15-13-12-6)8(14)11-5-9(10)3-2-4-9/h2-5,10H2,1H3,(H,11,14).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide?
N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 226.30 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 N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 103352583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).