5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

C14H17ClN4S — CID 133467477

IUPAC5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCN1CCC(Nc2nnc(-c3ccccc3Cl)s2)CC1
InChIInChI=1S/C14H17ClN4S/c1-19-8-6-10(7-9-19)16-14-18-17-13(20-14)11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyIJVLJSJEEOPONT-UHFFFAOYSA-N
MW308.84 g/mol
LogP3.36
Rot. Bonds3

About 5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 133467477) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID133467477
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCN1CCC(Nc2nnc(-c3ccccc3Cl)s2)CC1
InChIInChI=1S/C14H17ClN4S/c1-19-8-6-10(7-9-19)16-14-18-17-13(20-14)11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyIJVLJSJEEOPONT-UHFFFAOYSA-N
XLogP3.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 133467477) is 5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is CN1CCC(Nc2nnc(-c3ccccc3Cl)s2)CC1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IJVLJSJEEOPONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4S/c1-19-8-6-10(7-9-19)16-14-18-17-13(20-14)11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3,(H,16,18).
What are the key properties of 5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 308.84 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133467477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).