N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

C10H15N3OS — CID 3100928

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESCc1nnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C10H15N3OS/c1-7-12-13-10(15-7)11-9(14)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,11,13,14)
InChIKeyUAHJUVSBTQWZCQ-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.37
Rot. Bonds2

About N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (PubChem CID 3100928) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
PubChem CID3100928
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESCc1nnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C10H15N3OS/c1-7-12-13-10(15-7)11-9(14)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,11,13,14)
InChIKeyUAHJUVSBTQWZCQ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (CID 3100928) is N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is Cc1nnc(NC(=O)C2CCCCC2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is UAHJUVSBTQWZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-12-13-10(15-7)11-9(14)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,11,13,14).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 225.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 3100928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).