2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole

C17H23N3S — CID 165435273

IUPAC2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(CCc3ccccc3)CC2)cs1
InChIInChI=1S/C17H23N3S/c1-15-18-17(14-21-15)13-20-11-9-19(10-12-20)8-7-16-5-3-2-4-6-16/h2-6,14H,7-13H2,1H3
InChIKeyBHNQWSNXQNHARI-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.81
Rot. Bonds5

About 2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 165435273) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID165435273
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(CCc3ccccc3)CC2)cs1
InChIInChI=1S/C17H23N3S/c1-15-18-17(14-21-15)13-20-11-9-19(10-12-20)8-7-16-5-3-2-4-6-16/h2-6,14H,7-13H2,1H3
InChIKeyBHNQWSNXQNHARI-UHFFFAOYSA-N
XLogP2.81
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 165435273) is 2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCN(CCc3ccccc3)CC2)cs1.
What is the InChIKey of 2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BHNQWSNXQNHARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-15-18-17(14-21-15)13-20-11-9-19(10-12-20)8-7-16-5-3-2-4-6-16/h2-6,14H,7-13H2,1H3.
What are the key properties of 2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 301.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 165435273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).