3-(difluoromethyl)-1,2,4-thiadiazol-5-amine

C3H3F2N3S — CID 105429510

IUPAC3-(difluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C(F)F)ns1
InChIInChI=1S/C3H3F2N3S/c4-1(5)2-7-3(6)9-8-2/h1H,(H2,6,7,8)
InChIKeyUGCOYCRCLYMZCP-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.06
Rot. Bonds1

About 3-(difluoromethyl)-1,2,4-thiadiazol-5-amine

3-(difluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 105429510) has the molecular formula C3H3F2N3S and a molecular weight of 151.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID105429510
Molecular FormulaC3H3F2N3S
Molecular Weight151.14 g/mol
Exact Mass151.00
IUPAC Name3-(difluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C(F)F)ns1
InChIInChI=1S/C3H3F2N3S/c4-1(5)2-7-3(6)9-8-2/h1H,(H2,6,7,8)
InChIKeyUGCOYCRCLYMZCP-UHFFFAOYSA-N
XLogP1.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethyl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 20533652
5-Amino-3-methyl-1,2,4-thiadiazole
CID 350639
5-Chloro-3-(difluoromethyl)-1,2,4-thiadiazole
CID 22157821
5-Bromo-3-(difluoromethyl)-1,2,4-thiadiazole
CID 154706545
5-Methyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 20718414
3-Methyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 23528318
CID 59497977
CID 59497977
3-(3,3,3-Trifluoro-propyl)-[1,2,4]thiadiazol-5-ylamine
CID 66898934
5-Fluoro-3-methyl-1,2,4-thiadiazole
CID 68382243
3-(1-Fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 174597237
3-(2,2,2-Trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 61392887
3-(Fluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105427719

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(difluoromethyl)-1,2,4-thiadiazol-5-amine (CID 105429510) is 3-(difluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(difluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(difluoromethyl)-1,2,4-thiadiazol-5-amine is Nc1nc(C(F)F)ns1.
What is the InChIKey of 3-(difluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UGCOYCRCLYMZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F2N3S/c4-1(5)2-7-3(6)9-8-2/h1H,(H2,6,7,8).
What are the key properties of 3-(difluoromethyl)-1,2,4-thiadiazol-5-amine?
3-(difluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 151.14 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 105429510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).