N-(2-aminobutyl)thiadiazole-5-carboxamide

C7H12N4OS — CID 63733239

IUPACN-(2-aminobutyl)thiadiazole-5-carboxamide
SMILESCCC(N)CNC(=O)c1cnns1
InChIInChI=1S/C7H12N4OS/c1-2-5(8)3-9-7(12)6-4-10-11-13-6/h4-5H,2-3,8H2,1H3,(H,9,12)
InChIKeyPXZFZMHAEQMVEU-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.01
Rot. Bonds4

About N-(2-aminobutyl)thiadiazole-5-carboxamide

N-(2-aminobutyl)thiadiazole-5-carboxamide (PubChem CID 63733239) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is N-(2-aminobutyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminobutyl)thiadiazole-5-carboxamide
PubChem CID63733239
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC NameN-(2-aminobutyl)thiadiazole-5-carboxamide
SMILESCCC(N)CNC(=O)c1cnns1
InChIInChI=1S/C7H12N4OS/c1-2-5(8)3-9-7(12)6-4-10-11-13-6/h4-5H,2-3,8H2,1H3,(H,9,12)
InChIKeyPXZFZMHAEQMVEU-UHFFFAOYSA-N
XLogP0.01
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-aminobutyl)thiadiazole-5-carboxamide (CID 63733239) is N-(2-aminobutyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-aminobutyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-aminobutyl)thiadiazole-5-carboxamide is CCC(N)CNC(=O)c1cnns1.
What is the InChIKey of N-(2-aminobutyl)thiadiazole-5-carboxamide?
The InChIKey is PXZFZMHAEQMVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-2-5(8)3-9-7(12)6-4-10-11-13-6/h4-5H,2-3,8H2,1H3,(H,9,12).
What are the key properties of N-(2-aminobutyl)thiadiazole-5-carboxamide?
N-(2-aminobutyl)thiadiazole-5-carboxamide has a molecular weight of 200.27 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 63733239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).