N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C13H15N3OS2 — CID 665475

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)c1cccs1
InChIInChI=1S/C13H15N3OS2/c17-11(10-7-4-8-18-10)14-13-16-15-12(19-13)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,16,17)
InChIKeyFYOGLJTWSQKRSO-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.90
Rot. Bonds3

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 665475) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID665475
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)c1cccs1
InChIInChI=1S/C13H15N3OS2/c17-11(10-7-4-8-18-10)14-13-16-15-12(19-13)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,16,17)
InChIKeyFYOGLJTWSQKRSO-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-thiophenecarboxamide
CID 1245444
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2567184
3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 4116600
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 8438614
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide
CID 9460401
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 25162698
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 697577
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
CID 809020
N-[5-(Ethylthio)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 871907
N-(5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1633446
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 569586

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 665475) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nnc(C2CCCCC2)s1)c1cccs1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is FYOGLJTWSQKRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c17-11(10-7-4-8-18-10)14-13-16-15-12(19-13)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,16,17).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 665475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).