N-cyclohexylthiadiazole-5-carboxamide

C9H13N3OS — CID 47259432

IUPACN-cyclohexylthiadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnns1
InChIInChI=1S/C9H13N3OS/c13-9(8-6-10-12-14-8)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13)
InChIKeyRJFVXUKJRJRUSM-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.60
Rot. Bonds2

About N-cyclohexylthiadiazole-5-carboxamide

N-cyclohexylthiadiazole-5-carboxamide (PubChem CID 47259432) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-cyclohexylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexylthiadiazole-5-carboxamide
PubChem CID47259432
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-cyclohexylthiadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnns1
InChIInChI=1S/C9H13N3OS/c13-9(8-6-10-12-14-8)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13)
InChIKeyRJFVXUKJRJRUSM-UHFFFAOYSA-N
XLogP1.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylthiadiazole-5-carboxamide?
The IUPAC name of N-cyclohexylthiadiazole-5-carboxamide (CID 47259432) is N-cyclohexylthiadiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexylthiadiazole-5-carboxamide?
The canonical SMILES for N-cyclohexylthiadiazole-5-carboxamide is O=C(NC1CCCCC1)c1cnns1.
What is the InChIKey of N-cyclohexylthiadiazole-5-carboxamide?
The InChIKey is RJFVXUKJRJRUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-9(8-6-10-12-14-8)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13).
What are the key properties of N-cyclohexylthiadiazole-5-carboxamide?
N-cyclohexylthiadiazole-5-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylthiadiazole-5-carboxamide is sourced from PubChem (CID 47259432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).