4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C13H15N5OS — CID 47148349

IUPAC4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nccs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H15N5OS/c19-13(16-12-15-5-10-20-12)18-8-6-17(7-9-18)11-3-1-2-4-14-11/h1-5,10H,6-9H2,(H,15,16,19)
InChIKeyVNKNEXMWSKNPHH-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.89
Rot. Bonds2

About 4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide

4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 47148349) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID47148349
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nccs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H15N5OS/c19-13(16-12-15-5-10-20-12)18-8-6-17(7-9-18)11-3-1-2-4-14-11/h1-5,10H,6-9H2,(H,15,16,19)
InChIKeyVNKNEXMWSKNPHH-UHFFFAOYSA-N
XLogP1.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
CID 138994397
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 89424116
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073
4-pyridin-2-yl-N-(1,2,5-thiadiazol-3-yl)piperazine-1-carboxamide
CID 4236681
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 127561429
N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108990373
4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47193079
N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 778358
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 47148349) is 4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(Nc1nccs1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is VNKNEXMWSKNPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c19-13(16-12-15-5-10-20-12)18-8-6-17(7-9-18)11-3-1-2-4-14-11/h1-5,10H,6-9H2,(H,15,16,19).
What are the key properties of 4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 47148349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).