4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride

C17H21Cl2N3S — CID 120768875

IUPAC4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride
SMILESCl.Clc1ccccc1C1CNCCN1Cc1csc(C2CC2)n1
InChIInChI=1S/C17H20ClN3S.ClH/c18-15-4-2-1-3-14(15)16-9-19-7-8-21(16)10-13-11-22-17(20-13)12-5-6-12;/h1-4,11-12,16,19H,5-10H2;1H
InChIKeyNFLDMTZRCMNNQI-UHFFFAOYSA-N
MW370.35 g/mol
LogP4.24
Rot. Bonds4

About 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride

4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride (PubChem CID 120768875) has the molecular formula C17H21Cl2N3S and a molecular weight of 370.35 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride
PubChem CID120768875
Molecular FormulaC17H21Cl2N3S
Molecular Weight370.35 g/mol
Exact Mass369.08
IUPAC Name4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride
SMILESCl.Clc1ccccc1C1CNCCN1Cc1csc(C2CC2)n1
InChIInChI=1S/C17H20ClN3S.ClH/c18-15-4-2-1-3-14(15)16-9-19-7-8-21(16)10-13-11-22-17(20-13)12-5-6-12;/h1-4,11-12,16,19H,5-10H2;1H
InChIKeyNFLDMTZRCMNNQI-UHFFFAOYSA-N
XLogP4.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride 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-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
CID 120757491
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 120768960
2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120754217
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride
CID 120757715
2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910295
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 120757352
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
CID 120757443
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120757781
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride (CID 120768875) is 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride is Cl.Clc1ccccc1C1CNCCN1Cc1csc(C2CC2)n1.
What is the InChIKey of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride?
The InChIKey is NFLDMTZRCMNNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3S.ClH/c18-15-4-2-1-3-14(15)16-9-19-7-8-21(16)10-13-11-22-17(20-13)12-5-6-12;/h1-4,11-12,16,19H,5-10H2;1H.
What are the key properties of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride?
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride has a molecular weight of 370.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120768875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).