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

C9H14N4OS — CID 79517062

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESNc1nnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C9H14N4OS/c10-8-12-13-9(15-8)11-7(14)6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,12)(H,11,13,14)
InChIKeyALSYSZCTMSFEFN-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.64
Rot. Bonds2

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

N-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (PubChem CID 79517062) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
PubChem CID79517062
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESNc1nnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C9H14N4OS/c10-8-12-13-9(15-8)11-7(14)6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,12)(H,11,13,14)
InChIKeyALSYSZCTMSFEFN-UHFFFAOYSA-N
XLogP1.64
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (CID 79517062) is N-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is Nc1nnc(NC(=O)C2CCCCC2)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is ALSYSZCTMSFEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c10-8-12-13-9(15-8)11-7(14)6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,12)(H,11,13,14).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 79517062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).