5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

C10H15F2N3S — CID 166600619

IUPAC5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCC(C(F)F)C2)n1
InChIInChI=1S/C10H15F2N3S/c1-6(2)9-13-10(16-14-9)15-4-3-7(5-15)8(11)12/h6-8H,3-5H2,1-2H3
InChIKeyKVECEGLFXLVBIH-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.75
Rot. Bonds3

About 5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 166600619) has the molecular formula C10H15F2N3S and a molecular weight of 247.31 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID166600619
Molecular FormulaC10H15F2N3S
Molecular Weight247.31 g/mol
Exact Mass247.10
IUPAC Name5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCC(C(F)F)C2)n1
InChIInChI=1S/C10H15F2N3S/c1-6(2)9-13-10(16-14-9)15-4-3-7(5-15)8(11)12/h6-8H,3-5H2,1-2H3
InChIKeyKVECEGLFXLVBIH-UHFFFAOYSA-N
XLogP2.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole 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

1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976770
3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 79867771
[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
CID 65272653
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673285
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine
CID 65279975
2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide
CID 133354661
5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 82701825
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanone
CID 171992958
1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976799
1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 112627776
N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 133354809
2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 172881079

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (CID 166600619) is 5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(N2CCC(C(F)F)C2)n1.
What is the InChIKey of 5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is KVECEGLFXLVBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3S/c1-6(2)9-13-10(16-14-9)15-4-3-7(5-15)8(11)12/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 247.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 166600619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).