3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine

C11H17F2N3S — CID 114216741

IUPAC3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C2CCCC(F)(F)C2)ns1
InChIInChI=1S/C11H17F2N3S/c1-2-6-14-10-15-9(16-17-10)8-4-3-5-11(12,13)7-8/h8H,2-7H2,1H3,(H,14,15,16)
InChIKeyUPRRYVKCJNMQAM-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.65
Rot. Bonds4

About 3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine

3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 114216741) has the molecular formula C11H17F2N3S and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID114216741
Molecular FormulaC11H17F2N3S
Molecular Weight261.34 g/mol
Exact Mass261.11
IUPAC Name3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C2CCCC(F)(F)C2)ns1
InChIInChI=1S/C11H17F2N3S/c1-2-6-14-10-15-9(16-17-10)8-4-3-5-11(12,13)7-8/h8H,2-7H2,1H3,(H,14,15,16)
InChIKeyUPRRYVKCJNMQAM-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 114216741) is 3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(C2CCCC(F)(F)C2)ns1.
What is the InChIKey of 3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is UPRRYVKCJNMQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3S/c1-2-6-14-10-15-9(16-17-10)8-4-3-5-11(12,13)7-8/h8H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 261.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 114216741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).