2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole

C17H26N4S — CID 48941168

IUPAC2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole
SMILESCCCC1CCCN(Cc2csc(-c3cnn(C)c3)n2)CC1
InChIInChI=1S/C17H26N4S/c1-3-5-14-6-4-8-21(9-7-14)12-16-13-22-17(19-16)15-10-18-20(2)11-15/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeySPCJLDGILDEDBX-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.95
Rot. Bonds5

About 2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole

2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole (PubChem CID 48941168) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole
PubChem CID48941168
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole
SMILESCCCC1CCCN(Cc2csc(-c3cnn(C)c3)n2)CC1
InChIInChI=1S/C17H26N4S/c1-3-5-14-6-4-8-21(9-7-14)12-16-13-22-17(19-16)15-10-18-20(2)11-15/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeySPCJLDGILDEDBX-UHFFFAOYSA-N
XLogP3.95
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole 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

4-[(2-Cyclopentyl-1,3-thiazol-4-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53586145
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole
CID 53602914
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 53603908
2-(4-methylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53614923
2-Propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56781078
2-Cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56825166
2-Tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56825180
2-[4-[[Methyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]methyl]piperidin-1-yl]ethanol
CID 72142472
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 118741509
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
CID 53626077
4-Cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 71992965
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 72142020

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole (CID 48941168) is 2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole is CCCC1CCCN(Cc2csc(-c3cnn(C)c3)n2)CC1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole?
The InChIKey is SPCJLDGILDEDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-3-5-14-6-4-8-21(9-7-14)12-16-13-22-17(19-16)15-10-18-20(2)11-15/h10-11,13-14H,3-9,12H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole?
2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole has a molecular weight of 318.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 48941168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).