1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide

C16H17N5O2S — CID 75370508

IUPAC1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)s1)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C16H17N5O2S/c22-14(11-9-17-21(10-11)12-5-2-1-3-6-12)18-16-20-19-15(24-16)13-7-4-8-23-13/h4,7-10,12H,1-3,5-6H2,(H,18,20,22)
InChIKeyFXVVMEWADBWALB-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.75
Rot. Bonds4

About 1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide

1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 75370508) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
PubChem CID75370508
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)s1)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C16H17N5O2S/c22-14(11-9-17-21(10-11)12-5-2-1-3-6-12)18-16-20-19-15(24-16)13-7-4-8-23-13/h4,7-10,12H,1-3,5-6H2,(H,18,20,22)
InChIKeyFXVVMEWADBWALB-UHFFFAOYSA-N
XLogP3.75
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
CID 810799
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 47027078
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
CID 1418166
(2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
CID 97185180
3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17418656
[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea
CID 71374888
1-cyclopentyl-N-(1H-indol-3-yl)pyrazole-4-carboxamide
CID 154652767
1-cyclohexylpyrazole-4-carbonyl chloride
CID 83814222
1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 741055
(Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 170918690
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide
CID 74766888
1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
CID 167794491

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide (CID 75370508) is 1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide is O=C(Nc1nnc(-c2ccco2)s1)c1cnn(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
The InChIKey is FXVVMEWADBWALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c22-14(11-9-17-21(10-11)12-5-2-1-3-6-12)18-16-20-19-15(24-16)13-7-4-8-23-13/h4,7-10,12H,1-3,5-6H2,(H,18,20,22).
What are the key properties of 1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 75370508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).