N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine

C8H11F2N3S — CID 131198079

IUPACN-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESFC1(F)CCCCC1Nc1ncns1
InChIInChI=1S/C8H11F2N3S/c9-8(10)4-2-1-3-6(8)13-7-11-5-12-14-7/h5-6H,1-4H2,(H,11,12,13)
InChIKeyAHTKLZGEBAVOPA-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.53
Rot. Bonds2

About N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine

N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine (PubChem CID 131198079) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine
PubChem CID131198079
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC NameN-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESFC1(F)CCCCC1Nc1ncns1
InChIInChI=1S/C8H11F2N3S/c9-8(10)4-2-1-3-6(8)13-7-11-5-12-14-7/h5-6H,1-4H2,(H,11,12,13)
InChIKeyAHTKLZGEBAVOPA-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine (CID 131198079) is N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine is FC1(F)CCCCC1Nc1ncns1.
What is the InChIKey of N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is AHTKLZGEBAVOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c9-8(10)4-2-1-3-6(8)13-7-11-5-12-14-7/h5-6H,1-4H2,(H,11,12,13).
What are the key properties of N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine?
N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 219.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 131198079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).