4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride

C9H14ClF2N3S — CID 146423199

IUPAC4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(c2nnc(C(F)F)s2)CC1
InChIInChI=1S/C9H13F2N3S.ClH/c10-7(11)9-14-13-8(15-9)5-1-3-6(12)4-2-5;/h5-7H,1-4,12H2;1H
InChIKeyIWYCZKYIRDXFLW-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.88
Rot. Bonds2

About 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride

4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride (PubChem CID 146423199) has the molecular formula C9H14ClF2N3S and a molecular weight of 269.75 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride
PubChem CID146423199
Molecular FormulaC9H14ClF2N3S
Molecular Weight269.75 g/mol
Exact Mass269.06
IUPAC Name4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(c2nnc(C(F)F)s2)CC1
InChIInChI=1S/C9H13F2N3S.ClH/c10-7(11)9-14-13-8(15-9)5-1-3-6(12)4-2-5;/h5-7H,1-4,12H2;1H
InChIKeyIWYCZKYIRDXFLW-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.88
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
[5-(4,4-Difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 81934218
3-[5-[3-(Trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 81934219
3-[5-[4-(Trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 81934237
N-[2-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 81934242
3-[5-(4,4-Difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 81934264
1-[5-[3-(Trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934265
1-[5-[4-(Trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934289
1-[5-(4,4-Difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934290
N-methyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934293
2-[5-[3-(Trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934319

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride (CID 146423199) is 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride is Cl.NC1CCC(c2nnc(C(F)F)s2)CC1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride?
The InChIKey is IWYCZKYIRDXFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3S.ClH/c10-7(11)9-14-13-8(15-9)5-1-3-6(12)4-2-5;/h5-7H,1-4,12H2;1H.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride?
4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride has a molecular weight of 269.75 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 146423199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).