5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine

C7H13FN4S — CID 164651830

IUPAC5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCC(C)(F)CCNc1nc(N)ns1
InChIInChI=1S/C7H13FN4S/c1-7(2,8)3-4-10-6-11-5(9)12-13-6/h3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyNVDRKFZVEKGBOW-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.67
Rot. Bonds4

About 5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 164651830) has the molecular formula C7H13FN4S and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID164651830
Molecular FormulaC7H13FN4S
Molecular Weight204.27 g/mol
Exact Mass204.08
IUPAC Name5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCC(C)(F)CCNc1nc(N)ns1
InChIInChI=1S/C7H13FN4S/c1-7(2,8)3-4-10-6-11-5(9)12-13-6/h3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyNVDRKFZVEKGBOW-UHFFFAOYSA-N
XLogP1.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine (CID 164651830) is 5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine is CC(C)(F)CCNc1nc(N)ns1.
What is the InChIKey of 5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is NVDRKFZVEKGBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN4S/c1-7(2,8)3-4-10-6-11-5(9)12-13-6/h3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 204.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 164651830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).