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

C14H16N4OS — CID 778157

IUPACN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2cccnc2)s1)C1CCCCC1
InChIInChI=1S/C14H16N4OS/c19-12(10-5-2-1-3-6-10)16-14-18-17-13(20-14)11-7-4-8-15-9-11/h4,7-10H,1-3,5-6H2,(H,16,18,19)
InChIKeySCXUKMBNWVLKAY-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.12
Rot. Bonds3

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

N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (PubChem CID 778157) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
PubChem CID778157
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2cccnc2)s1)C1CCCCC1
InChIInChI=1S/C14H16N4OS/c19-12(10-5-2-1-3-6-10)16-14-18-17-13(20-14)11-7-4-8-15-9-11/h4,7-10H,1-3,5-6H2,(H,16,18,19)
InChIKeySCXUKMBNWVLKAY-UHFFFAOYSA-N
XLogP3.12
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (CID 778157) is N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is O=C(Nc1nnc(-c2cccnc2)s1)C1CCCCC1.
What is the InChIKey of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is SCXUKMBNWVLKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c19-12(10-5-2-1-3-6-10)16-14-18-17-13(20-14)11-7-4-8-15-9-11/h4,7-10H,1-3,5-6H2,(H,16,18,19).
What are the key properties of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 288.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 778157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).