4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide

C17H23N5OS — CID 84600185

IUPAC4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide
SMILESCC(c1ccccn1)N1CCN(C(=O)NCCc2cscn2)CC1
InChIInChI=1S/C17H23N5OS/c1-14(16-4-2-3-6-18-16)21-8-10-22(11-9-21)17(23)19-7-5-15-12-24-13-20-15/h2-4,6,12-14H,5,7-11H2,1H3,(H,19,23)
InChIKeyBRNAWOYHOUDFRO-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.17
Rot. Bonds5

About 4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide

4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide (PubChem CID 84600185) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide
PubChem CID84600185
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide
SMILESCC(c1ccccn1)N1CCN(C(=O)NCCc2cscn2)CC1
InChIInChI=1S/C17H23N5OS/c1-14(16-4-2-3-6-18-16)21-8-10-22(11-9-21)17(23)19-7-5-15-12-24-13-20-15/h2-4,6,12-14H,5,7-11H2,1H3,(H,19,23)
InChIKeyBRNAWOYHOUDFRO-UHFFFAOYSA-N
XLogP2.17
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 84600062
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 97308542
3-oxo-3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 110480160
N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75523393
N-[(2S)-4-methylsulfanylbutan-2-yl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 97308528
N-(4-methylsulfanylbutan-2-yl)-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75478310
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide
CID 124829259
N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 47071729
2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid
CID 65055730
4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
CID 63824344
5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
CID 82688020

Frequently Asked Questions

What is the IUPAC name of 4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide (CID 84600185) is 4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide is CC(c1ccccn1)N1CCN(C(=O)NCCc2cscn2)CC1.
What is the InChIKey of 4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is BRNAWOYHOUDFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-14(16-4-2-3-6-18-16)21-8-10-22(11-9-21)17(23)19-7-5-15-12-24-13-20-15/h2-4,6,12-14H,5,7-11H2,1H3,(H,19,23).
What are the key properties of 4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide?
4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 84600185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).