N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

C17H23N5OS — CID 2809272

IUPACN-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C17H23N5OS/c1-17(2,3)19-15(23)21-9-11-22(12-10-21)16-18-14(20-24-16)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,23)
InChIKeyMZECNBQXBCFDJN-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.84
Rot. Bonds2

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

N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (PubChem CID 2809272) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
PubChem CID2809272
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C17H23N5OS/c1-17(2,3)19-15(23)21-9-11-22(12-10-21)16-18-14(20-24-16)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,23)
InChIKeyMZECNBQXBCFDJN-UHFFFAOYSA-N
XLogP2.84
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (CID 2809272) is N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The InChIKey is MZECNBQXBCFDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-17(2,3)19-15(23)21-9-11-22(12-10-21)16-18-14(20-24-16)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,23).
What are the key properties of N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 2809272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).