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

C9H13F2N3S — CID 146389300

IUPAC4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine
SMILESNC1CCC(c2nnc(C(F)F)s2)CC1
InChIInChI=1S/C9H13F2N3S/c10-7(11)9-14-13-8(15-9)5-1-3-6(12)4-2-5/h5-7H,1-4,12H2
InChIKeyABEDTDRWPRPJDQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.46
Rot. Bonds2

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

4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine (PubChem CID 146389300) has the molecular formula C9H13F2N3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine
PubChem CID146389300
Molecular FormulaC9H13F2N3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine
SMILESNC1CCC(c2nnc(C(F)F)s2)CC1
InChIInChI=1S/C9H13F2N3S/c10-7(11)9-14-13-8(15-9)5-1-3-6(12)4-2-5/h5-7H,1-4,12H2
InChIKeyABEDTDRWPRPJDQ-UHFFFAOYSA-N
XLogP2.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.46
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
[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
1-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 81934239
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
N-methyl-1-[5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934267
N-[2-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine
CID 81934268
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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine (CID 146389300) is 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine is NC1CCC(c2nnc(C(F)F)s2)CC1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine?
The InChIKey is ABEDTDRWPRPJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3S/c10-7(11)9-14-13-8(15-9)5-1-3-6(12)4-2-5/h5-7H,1-4,12H2.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine?
4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine has a molecular weight of 233.29 g/mol, XLogP of 2.46, 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 is sourced from PubChem (CID 146389300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).