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

C15H20N4S — CID 53271583

IUPAC4-methyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-amine
SMILESCN1CCN(NCc2ncc(-c3ccccc3)s2)CC1
InChIInChI=1S/C15H20N4S/c1-18-7-9-19(10-8-18)17-12-15-16-11-14(20-15)13-5-3-2-4-6-13/h2-6,11,17H,7-10,12H2,1H3
InChIKeyHOPFJSZIDQKJHT-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.06
Rot. Bonds4

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

4-methyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-amine (PubChem CID 53271583) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-methyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-amine
PubChem CID53271583
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-methyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-amine
SMILESCN1CCN(NCc2ncc(-c3ccccc3)s2)CC1
InChIInChI=1S/C15H20N4S/c1-18-7-9-19(10-8-18)17-12-15-16-11-14(20-15)13-5-3-2-4-6-13/h2-6,11,17H,7-10,12H2,1H3
InChIKeyHOPFJSZIDQKJHT-UHFFFAOYSA-N
XLogP2.06
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-amine (CID 53271583) is 4-methyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-amine is CN1CCN(NCc2ncc(-c3ccccc3)s2)CC1.
What is the InChIKey of 4-methyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-amine?
The InChIKey is HOPFJSZIDQKJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-18-7-9-19(10-8-18)17-12-15-16-11-14(20-15)13-5-3-2-4-6-13/h2-6,11,17H,7-10,12H2,1H3.
What are the key properties of 4-methyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-amine?
4-methyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-amine has a molecular weight of 288.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-amine is sourced from PubChem (CID 53271583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).