N-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide

C8H14N4OS — CID 65216283

IUPACN-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide
SMILESCC(C)C(N)CNC(=O)c1csnn1
InChIInChI=1S/C8H14N4OS/c1-5(2)6(9)3-10-8(13)7-4-14-12-11-7/h4-6H,3,9H2,1-2H3,(H,10,13)
InChIKeyDAHNKXPISAHQDS-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.25
Rot. Bonds4

About N-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide

N-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide (PubChem CID 65216283) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide
PubChem CID65216283
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide
SMILESCC(C)C(N)CNC(=O)c1csnn1
InChIInChI=1S/C8H14N4OS/c1-5(2)6(9)3-10-8(13)7-4-14-12-11-7/h4-6H,3,9H2,1-2H3,(H,10,13)
InChIKeyDAHNKXPISAHQDS-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide (CID 65216283) is N-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide is CC(C)C(N)CNC(=O)c1csnn1.
What is the InChIKey of N-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide?
The InChIKey is DAHNKXPISAHQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-5(2)6(9)3-10-8(13)7-4-14-12-11-7/h4-6H,3,9H2,1-2H3,(H,10,13).
What are the key properties of N-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide?
N-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methylbutyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 65216283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).