5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide

C11H16ClN3OS — CID 80618024

IUPAC5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC1CCC(CNC(=O)c2nnc(Cl)s2)CC1
InChIInChI=1S/C11H16ClN3OS/c1-7-2-4-8(5-3-7)6-13-9(16)10-14-15-11(12)17-10/h7-8H,2-6H2,1H3,(H,13,16)
InChIKeyRQDFHNLTIUJLER-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.75
Rot. Bonds3

About 5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618024) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618024
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC1CCC(CNC(=O)c2nnc(Cl)s2)CC1
InChIInChI=1S/C11H16ClN3OS/c1-7-2-4-8(5-3-7)6-13-9(16)10-14-15-11(12)17-10/h7-8H,2-6H2,1H3,(H,13,16)
InChIKeyRQDFHNLTIUJLER-UHFFFAOYSA-N
XLogP2.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80618024) is 5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide is CC1CCC(CNC(=O)c2nnc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RQDFHNLTIUJLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-7-2-4-8(5-3-7)6-13-9(16)10-14-15-11(12)17-10/h7-8H,2-6H2,1H3,(H,13,16).
What are the key properties of 5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 273.79 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).