N-(4-methylcyclohexyl)thiadiazole-4-carboxamide

C10H15N3OS — CID 47180328

IUPACN-(4-methylcyclohexyl)thiadiazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2csnn2)CC1
InChIInChI=1S/C10H15N3OS/c1-7-2-4-8(5-3-7)11-10(14)9-6-15-13-12-9/h6-8H,2-5H2,1H3,(H,11,14)
InChIKeyKVQITLAPSDYKQI-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.85
Rot. Bonds2

About N-(4-methylcyclohexyl)thiadiazole-4-carboxamide

N-(4-methylcyclohexyl)thiadiazole-4-carboxamide (PubChem CID 47180328) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)thiadiazole-4-carboxamide
PubChem CID47180328
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-(4-methylcyclohexyl)thiadiazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2csnn2)CC1
InChIInChI=1S/C10H15N3OS/c1-7-2-4-8(5-3-7)11-10(14)9-6-15-13-12-9/h6-8H,2-5H2,1H3,(H,11,14)
InChIKeyKVQITLAPSDYKQI-UHFFFAOYSA-N
XLogP1.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)thiadiazole-4-carboxamide (CID 47180328) is N-(4-methylcyclohexyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)thiadiazole-4-carboxamide is CC1CCC(NC(=O)c2csnn2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)thiadiazole-4-carboxamide?
The InChIKey is KVQITLAPSDYKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-2-4-8(5-3-7)11-10(14)9-6-15-13-12-9/h6-8H,2-5H2,1H3,(H,11,14).
What are the key properties of N-(4-methylcyclohexyl)thiadiazole-4-carboxamide?
N-(4-methylcyclohexyl)thiadiazole-4-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 47180328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).