3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole

C14H15N7S — CID 138019175

IUPAC3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESc1ccc(-c2nsc(N3CCC(c4nn[nH]n4)CC3)n2)cc1
InChIInChI=1S/C14H15N7S/c1-2-4-10(5-3-1)12-15-14(22-18-12)21-8-6-11(7-9-21)13-16-19-20-17-13/h1-5,11H,6-9H2,(H,16,17,19,20)
InChIKeyBPQVWDNXIQMSOF-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.10
Rot. Bonds3

About 3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole

3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 138019175) has the molecular formula C14H15N7S and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID138019175
Molecular FormulaC14H15N7S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESc1ccc(-c2nsc(N3CCC(c4nn[nH]n4)CC3)n2)cc1
InChIInChI=1S/C14H15N7S/c1-2-4-10(5-3-1)12-15-14(22-18-12)21-8-6-11(7-9-21)13-16-19-20-17-13/h1-5,11H,6-9H2,(H,16,17,19,20)
InChIKeyBPQVWDNXIQMSOF-UHFFFAOYSA-N
XLogP2.10
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole (CID 138019175) is 3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole is c1ccc(-c2nsc(N3CCC(c4nn[nH]n4)CC3)n2)cc1.
What is the InChIKey of 3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is BPQVWDNXIQMSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7S/c1-2-4-10(5-3-1)12-15-14(22-18-12)21-8-6-11(7-9-21)13-16-19-20-17-13/h1-5,11H,6-9H2,(H,16,17,19,20).
What are the key properties of 3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 313.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 138019175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).