5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine

C16H20Cl2N4S — CID 120904538

IUPAC5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)s1
InChIInChI=1S/C16H20Cl2N4S/c17-14-2-1-12(9-15(14)18)3-4-21-5-7-22(8-6-21)11-13-10-20-16(19)23-13/h1-2,9-10H,3-8,11H2,(H2,19,20)
InChIKeyQYBZQWLRICFHAN-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.39
Rot. Bonds5

About 5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120904538) has the molecular formula C16H20Cl2N4S and a molecular weight of 371.34 g/mol. Its IUPAC name is 5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120904538
Molecular FormulaC16H20Cl2N4S
Molecular Weight371.34 g/mol
Exact Mass370.08
IUPAC Name5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)s1
InChIInChI=1S/C16H20Cl2N4S/c17-14-2-1-12(9-15(14)18)3-4-21-5-7-22(8-6-21)11-13-10-20-16(19)23-13/h1-2,9-10H,3-8,11H2,(H2,19,20)
InChIKeyQYBZQWLRICFHAN-UHFFFAOYSA-N
XLogP3.39
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120904538) is 5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)s1.
What is the InChIKey of 5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is QYBZQWLRICFHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4S/c17-14-2-1-12(9-15(14)18)3-4-21-5-7-22(8-6-21)11-13-10-20-16(19)23-13/h1-2,9-10H,3-8,11H2,(H2,19,20).
What are the key properties of 5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 371.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120904538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).