4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide

C12H12F3N7OS — CID 136576917

IUPAC4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C12H12F3N7OS/c13-12(14,15)9-19-20-10(24-9)18-11(23)22-5-3-21(4-6-22)8-7-16-1-2-17-8/h1-2,7H,3-6H2,(H,18,20,23)
InChIKeyWROORQZVCSHSBQ-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.70
Rot. Bonds2

About 4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide

4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide (PubChem CID 136576917) has the molecular formula C12H12F3N7OS and a molecular weight of 359.34 g/mol. Its IUPAC name is 4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
PubChem CID136576917
Molecular FormulaC12H12F3N7OS
Molecular Weight359.34 g/mol
Exact Mass359.08
IUPAC Name4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C12H12F3N7OS/c13-12(14,15)9-19-20-10(24-9)18-11(23)22-5-3-21(4-6-22)8-7-16-1-2-17-8/h1-2,7H,3-6H2,(H,18,20,23)
InChIKeyWROORQZVCSHSBQ-UHFFFAOYSA-N
XLogP1.70
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
CID 86987803
4-(2-methyl-4-pyridinyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepane-1-carboxamide
CID 30876977
N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 5102783
N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
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4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide
CID 23740362
4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 20629112
N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 3737109
4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide
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2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-(4-pyrazin-2-ylpiperazin-1-yl)octan-1-one
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(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
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Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide (CID 136576917) is 4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is WROORQZVCSHSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N7OS/c13-12(14,15)9-19-20-10(24-9)18-11(23)22-5-3-21(4-6-22)8-7-16-1-2-17-8/h1-2,7H,3-6H2,(H,18,20,23).
What are the key properties of 4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 359.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 136576917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).