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

C13H15N3OS2 — CID 108766306

IUPACN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)C1CCCCC1
InChIInChI=1S/C13H15N3OS2/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h4,7-9H,1-3,5-6H2,(H,14,16,17)
InChIKeyAJHVZUVAOJQHJV-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.79
Rot. Bonds3

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

N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (PubChem CID 108766306) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
PubChem CID108766306
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)C1CCCCC1
InChIInChI=1S/C13H15N3OS2/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h4,7-9H,1-3,5-6H2,(H,14,16,17)
InChIKeyAJHVZUVAOJQHJV-UHFFFAOYSA-N
XLogP3.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4252560
(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1225676
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
5-oxo-1-(4-pyrrolidin-1-ylphenyl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 108744077
2,2-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1080990
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 99635970
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 108744134
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 108744057
2-chloroethyl N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)carbamate
CID 108744063
(E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 879449

Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (CID 108766306) is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is O=C(Nc1nnc(-c2cccs2)s1)C1CCCCC1.
What is the InChIKey of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is AJHVZUVAOJQHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h4,7-9H,1-3,5-6H2,(H,14,16,17).
What are the key properties of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 293.42 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 108766306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).