N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine

C7H9F2N3S — CID 131101687

IUPACN-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFC1(F)CC(CNc2ncns2)C1
InChIInChI=1S/C7H9F2N3S/c8-7(9)1-5(2-7)3-10-6-11-4-12-13-6/h4-5H,1-3H2,(H,10,11,12)
InChIKeyYXUOMNVSLJLDEI-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.00
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine

N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 131101687) has the molecular formula C7H9F2N3S and a molecular weight of 205.23 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID131101687
Molecular FormulaC7H9F2N3S
Molecular Weight205.23 g/mol
Exact Mass205.05
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFC1(F)CC(CNc2ncns2)C1
InChIInChI=1S/C7H9F2N3S/c8-7(9)1-5(2-7)3-10-6-11-4-12-13-6/h4-5H,1-3H2,(H,10,11,12)
InChIKeyYXUOMNVSLJLDEI-UHFFFAOYSA-N
XLogP2.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274380
N-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304702
N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazol-5-amine
CID 115520544
N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine
CID 115520652
5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine
CID 115522983
N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine
CID 130592971
N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 130616600
N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine
CID 130708125
N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 131020650
N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 131101669
N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine
CID 131160593
N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine
CID 131198079

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine (CID 131101687) is N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine is FC1(F)CC(CNc2ncns2)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is YXUOMNVSLJLDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3S/c8-7(9)1-5(2-7)3-10-6-11-4-12-13-6/h4-5H,1-3H2,(H,10,11,12).
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine?
N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 205.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 131101687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).