4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

C8H13N3S — CID 89089331

IUPAC4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESNC1CCC(c2nncs2)CC1
InChIInChI=1S/C8H13N3S/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h5-7H,1-4,9H2
InChIKeyITEQKZWCOQXBAV-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.52
Rot. Bonds1

About 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (PubChem CID 89089331) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
PubChem CID89089331
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESNC1CCC(c2nncs2)CC1
InChIInChI=1S/C8H13N3S/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h5-7H,1-4,9H2
InChIKeyITEQKZWCOQXBAV-UHFFFAOYSA-N
XLogP1.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (CID 89089331) is 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is NC1CCC(c2nncs2)CC1.
What is the InChIKey of 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The InChIKey is ITEQKZWCOQXBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h5-7H,1-4,9H2.
What are the key properties of 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine has a molecular weight of 183.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 89089331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).