2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine

C12H19F2N3S — CID 114225862

IUPAC2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
SMILESCCNC(CC1CCCC(F)(F)C1)c1csnn1
InChIInChI=1S/C12H19F2N3S/c1-2-15-10(11-8-18-17-16-11)6-9-4-3-5-12(13,14)7-9/h8-10,15H,2-7H2,1H3
InChIKeyAXRVFUWAFVYNLZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.40
Rot. Bonds5

About 2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine

2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine (PubChem CID 114225862) has the molecular formula C12H19F2N3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
PubChem CID114225862
Molecular FormulaC12H19F2N3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
SMILESCCNC(CC1CCCC(F)(F)C1)c1csnn1
InChIInChI=1S/C12H19F2N3S/c1-2-15-10(11-8-18-17-16-11)6-9-4-3-5-12(13,14)7-9/h8-10,15H,2-7H2,1H3
InChIKeyAXRVFUWAFVYNLZ-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730468
N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730750
N-(thiadiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747489
4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine
CID 105156255
4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine
CID 105156307
N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine
CID 105156392
5,5,5-trifluoro-N-methyl-1-(thiadiazol-4-yl)pentan-1-amine
CID 105174244
5,5,5-trifluoro-N-propyl-1-(thiadiazol-4-yl)pentan-1-amine
CID 105174293
N-ethyl-5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine
CID 105174383
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 114225771
4-(2-Fluoro-2-piperidin-4-ylethyl)thiadiazole
CID 130550521
4-(2-Fluoro-2-piperidin-3-ylethyl)thiadiazole
CID 130550525

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine (CID 114225862) is 2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine is CCNC(CC1CCCC(F)(F)C1)c1csnn1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is AXRVFUWAFVYNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3S/c1-2-15-10(11-8-18-17-16-11)6-9-4-3-5-12(13,14)7-9/h8-10,15H,2-7H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 275.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 114225862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).