2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride

C21H23ClN4OS — CID 42914913

IUPAC2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCN1CCN(c2nc(-c3ccccc3)c(C(=O)Nc3ccccc3)s2)CC1.Cl
InChIInChI=1S/C21H22N4OS.ClH/c1-24-12-14-25(15-13-24)21-23-18(16-8-4-2-5-9-16)19(27-21)20(26)22-17-10-6-3-7-11-17;/h2-11H,12-15H2,1H3,(H,22,26);1H
InChIKeyHYVOHJDMDGTDQH-UHFFFAOYSA-N
MW414.96 g/mol
LogP4.24
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride

2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 42914913) has the molecular formula C21H23ClN4OS and a molecular weight of 414.96 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID42914913
Molecular FormulaC21H23ClN4OS
Molecular Weight414.96 g/mol
Exact Mass414.13
IUPAC Name2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCN1CCN(c2nc(-c3ccccc3)c(C(=O)Nc3ccccc3)s2)CC1.Cl
InChIInChI=1S/C21H22N4OS.ClH/c1-24-12-14-25(15-13-24)21-23-18(16-8-4-2-5-9-16)19(27-21)20(26)22-17-10-6-3-7-11-17;/h2-11H,12-15H2,1H3,(H,22,26);1H
InChIKeyHYVOHJDMDGTDQH-UHFFFAOYSA-N
XLogP4.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 7998095
N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 18859801
2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid
CID 162664514
4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667453
2-(4-but-2-ynoylpiperazin-1-yl)-4-[3-(phenylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 90443255
1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 52903593
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 68909471
4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 52898221
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17473227
N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 9074270
N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 167886430

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride (CID 42914913) is 2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride is CN1CCN(c2nc(-c3ccccc3)c(C(=O)Nc3ccccc3)s2)CC1.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is HYVOHJDMDGTDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS.ClH/c1-24-12-14-25(15-13-24)21-23-18(16-8-4-2-5-9-16)19(27-21)20(26)22-17-10-6-3-7-11-17;/h2-11H,12-15H2,1H3,(H,22,26);1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride?
2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 414.96 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 42914913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).