[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine

C15H19ClN4S — CID 62417334

IUPAC[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CN2CCN(c3ccccc3Cl)CC2)cs1
InChIInChI=1S/C15H19ClN4S/c16-13-3-1-2-4-14(13)20-7-5-19(6-8-20)10-12-11-21-15(9-17)18-12/h1-4,11H,5-10,17H2
InChIKeyHUKOYYGYFGINRP-UHFFFAOYSA-N
MW322.87 g/mol
LogP2.58
Rot. Bonds4

About [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine

[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 62417334) has the molecular formula C15H19ClN4S and a molecular weight of 322.87 g/mol. Its IUPAC name is [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID62417334
Molecular FormulaC15H19ClN4S
Molecular Weight322.87 g/mol
Exact Mass322.10
IUPAC Name[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CN2CCN(c3ccccc3Cl)CC2)cs1
InChIInChI=1S/C15H19ClN4S/c16-13-3-1-2-4-14(13)20-7-5-19(6-8-20)10-12-11-21-15(9-17)18-12/h1-4,11H,5-10,17H2
InChIKeyHUKOYYGYFGINRP-UHFFFAOYSA-N
XLogP2.58
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.87
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine (CID 62417334) is [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine is NCc1nc(CN2CCN(c3ccccc3Cl)CC2)cs1.
What is the InChIKey of [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is HUKOYYGYFGINRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4S/c16-13-3-1-2-4-14(13)20-7-5-19(6-8-20)10-12-11-21-15(9-17)18-12/h1-4,11H,5-10,17H2.
What are the key properties of [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine?
[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 322.87 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62417334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).