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

C14H17N5OS — CID 138994397

IUPAC4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1nccs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H17N5OS/c20-14(17-11-13-16-5-10-21-13)19-8-6-18(7-9-19)12-3-1-2-4-15-12/h1-5,10H,6-9,11H2,(H,17,20)
InChIKeySXKNHKTZPYWCJG-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.57
Rot. Bonds3

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

4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 138994397) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
PubChem CID138994397
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1nccs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H17N5OS/c20-14(17-11-13-16-5-10-21-13)19-8-6-18(7-9-19)12-3-1-2-4-15-12/h1-5,10H,6-9,11H2,(H,17,20)
InChIKeySXKNHKTZPYWCJG-UHFFFAOYSA-N
XLogP1.57
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47148349
2-[[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 154843508
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 134006342
(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 107838022
4-(4-methylbenzoyl)-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
CID 138994396
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 113213858
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112969794
4-(2-methylpropanoyl)-N-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 146075678

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide (CID 138994397) is 4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide is O=C(NCc1nccs1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is SXKNHKTZPYWCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c20-14(17-11-13-16-5-10-21-13)19-8-6-18(7-9-19)12-3-1-2-4-15-12/h1-5,10H,6-9,11H2,(H,17,20).
What are the key properties of 4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide?
4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.57, 3 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-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 138994397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).