2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C15H17N9OS — CID 51119848

IUPAC2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2nnnn2-c2ccccc2)CC1)Nc1nncs1
InChIInChI=1S/C15H17N9OS/c25-13(17-14-18-16-11-26-14)10-22-6-8-23(9-7-22)15-19-20-21-24(15)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,17,18,25)
InChIKeySNNVCHOUOSDBNZ-UHFFFAOYSA-N
MW371.43 g/mol
LogP0.27
Rot. Bonds5

About 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 51119848) has the molecular formula C15H17N9OS and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID51119848
Molecular FormulaC15H17N9OS
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC Name2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2nnnn2-c2ccccc2)CC1)Nc1nncs1
InChIInChI=1S/C15H17N9OS/c25-13(17-14-18-16-11-26-14)10-22-6-8-23(9-7-22)15-19-20-21-24(15)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,17,18,25)
InChIKeySNNVCHOUOSDBNZ-UHFFFAOYSA-N
XLogP0.27
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55601224
N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 26041068
N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 33451759
N-(3-fluorophenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 9338225
N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55601214
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanethioamide
CID 63337234
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 17375351
2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455547
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55628324
2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133452114
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55600931
N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628304

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 51119848) is 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(CN1CCN(c2nnnn2-c2ccccc2)CC1)Nc1nncs1.
What is the InChIKey of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is SNNVCHOUOSDBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N9OS/c25-13(17-14-18-16-11-26-14)10-22-6-8-23(9-7-22)15-19-20-21-24(15)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,17,18,25).
What are the key properties of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 371.43 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 51119848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).