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2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide

C21H19N5OS — CID 175732517

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
SMILESN#CC1(C(=O)Nc2ncc(-c3ccccc3)s2)CNCCN1c1ccccc1
InChIInChI=1S/C21H19N5OS/c22-14-21(15-23-11-12-26(21)17-9-5-2-6-10-17)19(27)25-20-24-13-18(28-20)16-7-3-1-4-8-16/h1-10,13,23H,11-12,15H2,(H,24,25,27)
InChIKeyNEVBUFARNRAWBD-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.12
Rot. Bonds4

About 2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide

2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide (PubChem CID 175732517) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
PubChem CID175732517
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC Name2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
SMILESN#CC1(C(=O)Nc2ncc(-c3ccccc3)s2)CNCCN1c1ccccc1
InChIInChI=1S/C21H19N5OS/c22-14-21(15-23-11-12-26(21)17-9-5-2-6-10-17)19(27)25-20-24-13-18(28-20)16-7-3-1-4-8-16/h1-10,13,23H,11-12,15H2,(H,24,25,27)
InChIKeyNEVBUFARNRAWBD-UHFFFAOYSA-N
XLogP3.12
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide?
The IUPAC name of 2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide (CID 175732517) is 2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide.
What is the SMILES notation for 2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide?
The canonical SMILES for 2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide is N#CC1(C(=O)Nc2ncc(-c3ccccc3)s2)CNCCN1c1ccccc1.
What is the InChIKey of 2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide?
The InChIKey is NEVBUFARNRAWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c22-14-21(15-23-11-12-26(21)17-9-5-2-6-10-17)19(27)25-20-24-13-18(28-20)16-7-3-1-4-8-16/h1-10,13,23H,11-12,15H2,(H,24,25,27).
What are the key properties of 2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide?
2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide is sourced from PubChem (CID 175732517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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