5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide

C12H18ClN3OS — CID 80625384

IUPAC5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCC1CCC(N(C)C(=O)c2nnc(Cl)s2)CC1
InChIInChI=1S/C12H18ClN3OS/c1-3-8-4-6-9(7-5-8)16(2)11(17)10-14-15-12(13)18-10/h8-9H,3-7H2,1-2H3
InChIKeyRLRBAMHEKBHEJY-UHFFFAOYSA-N
MW287.82 g/mol
LogP3.23
Rot. Bonds3

About 5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625384) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625384
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCC1CCC(N(C)C(=O)c2nnc(Cl)s2)CC1
InChIInChI=1S/C12H18ClN3OS/c1-3-8-4-6-9(7-5-8)16(2)11(17)10-14-15-12(13)18-10/h8-9H,3-7H2,1-2H3
InChIKeyRLRBAMHEKBHEJY-UHFFFAOYSA-N
XLogP3.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 80625384) is 5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide is CCC1CCC(N(C)C(=O)c2nnc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RLRBAMHEKBHEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-3-8-4-6-9(7-5-8)16(2)11(17)10-14-15-12(13)18-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 287.82 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).