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

C19H28ClN3O2S — CID 3078074

IUPAC4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole;hydrochloride
SMILESCCCOc1ccccc1N1CCN(CCOc2scnc2C)CC1.Cl
InChIInChI=1S/C19H27N3O2S.ClH/c1-3-13-23-18-7-5-4-6-17(18)22-10-8-21(9-11-22)12-14-24-19-16(2)20-15-25-19;/h4-7,15H,3,8-14H2,1-2H3;1H
InChIKeyKRMIAFPWOALGMS-UHFFFAOYSA-N
MW397.97 g/mol
LogP3.86
Rot. Bonds8

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

4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole;hydrochloride (PubChem CID 3078074) has the molecular formula C19H28ClN3O2S and a molecular weight of 397.97 g/mol. Its IUPAC name is 4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole;hydrochloride
PubChem CID3078074
Molecular FormulaC19H28ClN3O2S
Molecular Weight397.97 g/mol
Exact Mass397.16
IUPAC Name4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole;hydrochloride
SMILESCCCOc1ccccc1N1CCN(CCOc2scnc2C)CC1.Cl
InChIInChI=1S/C19H27N3O2S.ClH/c1-3-13-23-18-7-5-4-6-17(18)22-10-8-21(9-11-22)12-14-24-19-16(2)20-15-25-19;/h4-7,15H,3,8-14H2,1-2H3;1H
InChIKeyKRMIAFPWOALGMS-UHFFFAOYSA-N
XLogP3.86
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.97
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole;hydrochloride?
The IUPAC name of 4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole;hydrochloride (CID 3078074) is 4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole;hydrochloride is CCCOc1ccccc1N1CCN(CCOc2scnc2C)CC1.Cl.
What is the InChIKey of 4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole;hydrochloride?
The InChIKey is KRMIAFPWOALGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S.ClH/c1-3-13-23-18-7-5-4-6-17(18)22-10-8-21(9-11-22)12-14-24-19-16(2)20-15-25-19;/h4-7,15H,3,8-14H2,1-2H3;1H.
What are the key properties of 4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole;hydrochloride?
4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole;hydrochloride has a molecular weight of 397.97 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 3078074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).