4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole

C16H21N3S — CID 6456181

IUPAC4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole
SMILESCCN1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H21N3S/c1-2-18-8-10-19(11-9-18)12-15-13-20-16(17-15)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3
InChIKeyYBZAOWXNMVXOPO-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.95
Rot. Bonds4

About 4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole

4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole (PubChem CID 6456181) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole
PubChem CID6456181
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole
SMILESCCN1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H21N3S/c1-2-18-8-10-19(11-9-18)12-15-13-20-16(17-15)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3
InChIKeyYBZAOWXNMVXOPO-UHFFFAOYSA-N
XLogP2.95
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
1-(Methylsulfonyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine
CID 618556
1-(4-phenyl-2-thiazolyl)Piperidine
CID 879105
4-(4-Phenyl-thiazol-2-yl)-piperazine-1-carboxylic acid dimethylamide
CID 778223
2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile
CID 223844
4-(Chloromethyl)-2-phenyl-1,3-thiazole
CID 236969
2-Methyl-4-(4-methylphenyl)-1,3-thiazole
CID 667561
2-Chloro-4-phenylthiazole
CID 2761359
1-[3-(2-Methyl-thiazol-4-yl)-benzenesulfonyl]-piperidine
CID 943173
2-Cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile
CID 713364
2-(4-Phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 1490756

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole (CID 6456181) is 4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole is CCN1CCN(Cc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole?
The InChIKey is YBZAOWXNMVXOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-18-8-10-19(11-9-18)12-15-13-20-16(17-15)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3.
What are the key properties of 4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole?
4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole has a molecular weight of 287.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 6456181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).