N-propan-2-ylthiadiazole-5-carboxamide

C6H9N3OS — CID 60858055

IUPACN-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)NC(=O)c1cnns1
InChIInChI=1S/C6H9N3OS/c1-4(2)8-6(10)5-3-7-9-11-5/h3-4H,1-2H3,(H,8,10)
InChIKeyAPILWWKQOAKSGV-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.68
Rot. Bonds2

About N-propan-2-ylthiadiazole-5-carboxamide

N-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 60858055) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is N-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-ylthiadiazole-5-carboxamide
PubChem CID60858055
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC NameN-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)NC(=O)c1cnns1
InChIInChI=1S/C6H9N3OS/c1-4(2)8-6(10)5-3-7-9-11-5/h3-4H,1-2H3,(H,8,10)
InChIKeyAPILWWKQOAKSGV-UHFFFAOYSA-N
XLogP0.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-propan-2-ylthiadiazole-5-carboxamide (CID 60858055) is N-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-propan-2-ylthiadiazole-5-carboxamide is CC(C)NC(=O)c1cnns1.
What is the InChIKey of N-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is APILWWKQOAKSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4(2)8-6(10)5-3-7-9-11-5/h3-4H,1-2H3,(H,8,10).
What are the key properties of N-propan-2-ylthiadiazole-5-carboxamide?
N-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 171.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 60858055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).