5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine

C14H18N4S — CID 46889617

IUPAC5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NCN3CCCCC3)s2)cc1
InChIInChI=1S/C14H18N4S/c1-3-7-12(8-4-1)13-16-17-14(19-13)15-11-18-9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,17)
InChIKeyFAWPNSNGNNAZRX-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.06
Rot. Bonds4

About 5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine

5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 46889617) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID46889617
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NCN3CCCCC3)s2)cc1
InChIInChI=1S/C14H18N4S/c1-3-7-12(8-4-1)13-16-17-14(19-13)15-11-18-9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,17)
InChIKeyFAWPNSNGNNAZRX-UHFFFAOYSA-N
XLogP3.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 46889617) is 5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine is c1ccc(-c2nnc(NCN3CCCCC3)s2)cc1.
What is the InChIKey of 5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FAWPNSNGNNAZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-3-7-12(8-4-1)13-16-17-14(19-13)15-11-18-9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,17).
What are the key properties of 5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 274.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 46889617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).