4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide

C14H15N9OS — CID 44562226

IUPAC4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nn[nH]n1)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C14H15N9OS/c24-13(16-12-17-20-21-18-12)22-6-8-23(9-7-22)14-15-11(19-25-14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,16,17,18,20,21,24)
InChIKeyDBZONAUQFSBVIB-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.07
Rot. Bonds3

About 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide

4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide (PubChem CID 44562226) has the molecular formula C14H15N9OS and a molecular weight of 357.40 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide
PubChem CID44562226
Molecular FormulaC14H15N9OS
Molecular Weight357.40 g/mol
Exact Mass357.11
IUPAC Name4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nn[nH]n1)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C14H15N9OS/c24-13(16-12-17-20-21-18-12)22-6-8-23(9-7-22)14-15-11(19-25-14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,16,17,18,20,21,24)
InChIKeyDBZONAUQFSBVIB-UHFFFAOYSA-N
XLogP1.07
TPSA115.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide (CID 44562226) is 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide is O=C(Nc1nn[nH]n1)N1CCN(c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide?
The InChIKey is DBZONAUQFSBVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N9OS/c24-13(16-12-17-20-21-18-12)22-6-8-23(9-7-22)14-15-11(19-25-14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,16,17,18,20,21,24).
What are the key properties of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide?
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 44562226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).