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

C8H14ClN3S — CID 138703987

IUPAC4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(c2nncs2)CC1
InChIInChI=1S/C8H13N3S.ClH/c9-7-3-1-6(2-4-7)8-11-10-5-12-8;/h5-7H,1-4,9H2;1H
InChIKeyYGTNJGNGFFCSHZ-UHFFFAOYSA-N
MW219.74 g/mol
LogP1.94
Rot. Bonds1

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

4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride (PubChem CID 138703987) has the molecular formula C8H14ClN3S and a molecular weight of 219.74 g/mol. Its IUPAC name is 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride
PubChem CID138703987
Molecular FormulaC8H14ClN3S
Molecular Weight219.74 g/mol
Exact Mass219.06
IUPAC Name4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(c2nncs2)CC1
InChIInChI=1S/C8H13N3S.ClH/c9-7-3-1-6(2-4-7)8-11-10-5-12-8;/h5-7H,1-4,9H2;1H
InChIKeyYGTNJGNGFFCSHZ-UHFFFAOYSA-N
XLogP1.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 146382229
4-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine
CID 146389300
2-Cyclohexyl-1,3,4-thiadiazole
CID 19698736
4-(5-Methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 82469274
4-(1,3,4-Thiadiazol-2-yl)cyclohexan-1-amine
CID 89089331
4-Fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride
CID 146382228
4-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride
CID 146423199
N-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 175819755
1-(5-Cyclohexyl-1,3,4-thiadiazol-2-yl)propan-1-amine
CID 65726875
1-(5-Cyclohexyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 65727453
4-Methyl-1-(1,3,4-thiadiazol-2-yl)pentan-2-amine
CID 80440580
4-(5-Propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 82473492

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride (CID 138703987) is 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride is Cl.NC1CCC(c2nncs2)CC1.
What is the InChIKey of 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride?
The InChIKey is YGTNJGNGFFCSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S.ClH/c9-7-3-1-6(2-4-7)8-11-10-5-12-8;/h5-7H,1-4,9H2;1H.
What are the key properties of 4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride?
4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride has a molecular weight of 219.74 g/mol, XLogP of 1.94, 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;hydrochloride is sourced from PubChem (CID 138703987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).