3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine

C9H13F2N3OS — CID 103081675

IUPAC3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)COCCNc1nc(C2CC2)ns1
InChIInChI=1S/C9H13F2N3OS/c10-7(11)5-15-4-3-12-9-13-8(14-16-9)6-1-2-6/h6-7H,1-5H2,(H,12,13,14)
InChIKeyBQACNSPVODEXDH-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.11
Rot. Bonds7

About 3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 103081675) has the molecular formula C9H13F2N3OS and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID103081675
Molecular FormulaC9H13F2N3OS
Molecular Weight249.29 g/mol
Exact Mass249.07
IUPAC Name3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)COCCNc1nc(C2CC2)ns1
InChIInChI=1S/C9H13F2N3OS/c10-7(11)5-15-4-3-12-9-13-8(14-16-9)6-1-2-6/h6-7H,1-5H2,(H,12,13,14)
InChIKeyBQACNSPVODEXDH-UHFFFAOYSA-N
XLogP2.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 72112104
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268347
3-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271026
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65272894
3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273980
3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273982
3-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274036
3-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274037
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274038
3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274435
3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 79838766

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine (CID 103081675) is 3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine is FC(F)COCCNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is BQACNSPVODEXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3OS/c10-7(11)5-15-4-3-12-9-13-8(14-16-9)6-1-2-6/h6-7H,1-5H2,(H,12,13,14).
What are the key properties of 3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 249.29 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103081675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).