[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone

C17H20ClFN4OS — CID 120640139

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESNCCc1nc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cs1
InChIInChI=1S/C17H20ClFN4OS/c18-13-2-1-3-14(19)12(13)10-22-6-8-23(9-7-22)17(24)15-11-25-16(21-15)4-5-20/h1-3,11H,4-10,20H2
InChIKeyOJBNDZHBFSXFHN-UHFFFAOYSA-N
MW382.89 g/mol
LogP2.39
Rot. Bonds5

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 120640139) has the molecular formula C17H20ClFN4OS and a molecular weight of 382.89 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID120640139
Molecular FormulaC17H20ClFN4OS
Molecular Weight382.89 g/mol
Exact Mass382.10
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESNCCc1nc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cs1
InChIInChI=1S/C17H20ClFN4OS/c18-13-2-1-3-14(19)12(13)10-22-6-8-23(9-7-22)17(24)15-11-25-16(21-15)4-5-20/h1-3,11H,4-10,20H2
InChIKeyOJBNDZHBFSXFHN-UHFFFAOYSA-N
XLogP2.39
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone 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

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2,6-difluorobenzoyl)piperazin-1-yl]methanone
CID 120626679
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120640116
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 120615804
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 19329498
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641393
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112838842
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120641408
(4-bromo-1H-pyrazol-5-yl)-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19514863
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 119853363
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 19473143
[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 120618193
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641984

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 120640139) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone is NCCc1nc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cs1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is OJBNDZHBFSXFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4OS/c18-13-2-1-3-14(19)12(13)10-22-6-8-23(9-7-22)17(24)15-11-25-16(21-15)4-5-20/h1-3,11H,4-10,20H2.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 382.89 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 120640139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).