N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide

C22H24N4O2S — CID 7998095

IUPACN-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(N3CCN(C)CC3)nc2-c2ccccc2)c1
InChIInChI=1S/C22H24N4O2S/c1-25-11-13-26(14-12-25)22-24-19(16-7-4-3-5-8-16)20(29-22)21(27)23-17-9-6-10-18(15-17)28-2/h3-10,15H,11-14H2,1-2H3,(H,23,27)
InChIKeyPWKZHKIYFHDILU-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.82
Rot. Bonds5

About N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide

N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 7998095) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID7998095
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(N3CCN(C)CC3)nc2-c2ccccc2)c1
InChIInChI=1S/C22H24N4O2S/c1-25-11-13-26(14-12-25)22-24-19(16-7-4-3-5-8-16)20(29-22)21(27)23-17-9-6-10-18(15-17)28-2/h3-10,15H,11-14H2,1-2H3,(H,23,27)
InChIKeyPWKZHKIYFHDILU-UHFFFAOYSA-N
XLogP3.82
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 42914913
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763
N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 18859801
N-(3-methoxyphenyl)-4-phenyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
CID 60529003
2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 17409593
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 68909471
2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid
CID 162664514
N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 18280337
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 52898221
N-(3-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1447625
1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 48740743

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 7998095) is N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide is COc1cccc(NC(=O)c2sc(N3CCN(C)CC3)nc2-c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is PWKZHKIYFHDILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-25-11-13-26(14-12-25)22-24-19(16-7-4-3-5-8-16)20(29-22)21(27)23-17-9-6-10-18(15-17)28-2/h3-10,15H,11-14H2,1-2H3,(H,23,27).
What are the key properties of N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 7998095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).