4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride

C17H24ClN3S — CID 3021498

IUPAC4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride
SMILESCc1ccccc1N1CCN(CCc2scnc2C)CC1.Cl
InChIInChI=1S/C17H23N3S.ClH/c1-14-5-3-4-6-16(14)20-11-9-19(10-12-20)8-7-17-15(2)18-13-21-17;/h3-6,13H,7-12H2,1-2H3;1H
InChIKeyMPVVZYDMXIIUNI-UHFFFAOYSA-N
MW337.92 g/mol
LogP3.55
Rot. Bonds4

About 4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride

4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride (PubChem CID 3021498) has the molecular formula C17H24ClN3S and a molecular weight of 337.92 g/mol. Its IUPAC name is 4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride
PubChem CID3021498
Molecular FormulaC17H24ClN3S
Molecular Weight337.92 g/mol
Exact Mass337.14
IUPAC Name4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride
SMILESCc1ccccc1N1CCN(CCc2scnc2C)CC1.Cl
InChIInChI=1S/C17H23N3S.ClH/c1-14-5-3-4-6-16(14)20-11-9-19(10-12-20)8-7-17-15(2)18-13-21-17;/h3-6,13H,7-12H2,1-2H3;1H
InChIKeyMPVVZYDMXIIUNI-UHFFFAOYSA-N
XLogP3.55
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.92
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride (CID 3021498) is 4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride is Cc1ccccc1N1CCN(CCc2scnc2C)CC1.Cl.
What is the InChIKey of 4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride?
The InChIKey is MPVVZYDMXIIUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S.ClH/c1-14-5-3-4-6-16(14)20-11-9-19(10-12-20)8-7-17-15(2)18-13-21-17;/h3-6,13H,7-12H2,1-2H3;1H.
What are the key properties of 4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride?
4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride has a molecular weight of 337.92 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 3021498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).