N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride

C23H27ClN4O2S — CID 3039478

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2cnc(-c3ccccc3)s2)CC1.Cl
InChIInChI=1S/C23H26N4O2S.ClH/c1-29-20-10-6-5-9-19(20)27-15-13-26(14-16-27)12-11-24-22(28)21-17-25-23(30-21)18-7-3-2-4-8-18;/h2-10,17H,11-16H2,1H3,(H,24,28);1H
InChIKeyGAQSFGMNAJHKGD-UHFFFAOYSA-N
MW459.02 g/mol
LogP3.79
Rot. Bonds7

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 3039478) has the molecular formula C23H27ClN4O2S and a molecular weight of 459.02 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID3039478
Molecular FormulaC23H27ClN4O2S
Molecular Weight459.02 g/mol
Exact Mass458.15
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2cnc(-c3ccccc3)s2)CC1.Cl
InChIInChI=1S/C23H26N4O2S.ClH/c1-29-20-10-6-5-9-19(20)27-15-13-26(14-16-27)12-11-24-22(28)21-17-25-23(30-21)18-7-3-2-4-8-18;/h2-10,17H,11-16H2,1H3,(H,24,28);1H
InChIKeyGAQSFGMNAJHKGD-UHFFFAOYSA-N
XLogP3.79
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.02
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride (CID 3039478) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride is COc1ccccc1N1CCN(CCNC(=O)c2cnc(-c3ccccc3)s2)CC1.Cl.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is GAQSFGMNAJHKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S.ClH/c1-29-20-10-6-5-9-19(20)27-15-13-26(14-16-27)12-11-24-22(28)21-17-25-23(30-21)18-7-3-2-4-8-18;/h2-10,17H,11-16H2,1H3,(H,24,28);1H.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 459.02 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 3039478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).