N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C23H27N5O2S — CID 55744365

IUPACN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3csc(-c4ccc(OC)cc4)n3)cn2)CC1
InChIInChI=1S/C23H27N5O2S/c1-3-27-10-12-28(13-11-27)21-9-4-17(14-24-21)15-25-22(29)20-16-31-23(26-20)18-5-7-19(30-2)8-6-18/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,25,29)
InChIKeyOZMAGLGTSBFFJP-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.29
Rot. Bonds7

About N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 55744365) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID55744365
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3csc(-c4ccc(OC)cc4)n3)cn2)CC1
InChIInChI=1S/C23H27N5O2S/c1-3-27-10-12-28(13-11-27)21-9-4-17(14-24-21)15-25-22(29)20-16-31-23(26-20)18-5-7-19(30-2)8-6-18/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,25,29)
InChIKeyOZMAGLGTSBFFJP-UHFFFAOYSA-N
XLogP3.29
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145746
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
CID 11638950
2-(6-morpholin-4-yl-3-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53145860
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 55819456
N-(pyridin-4-ylmethyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145628
N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145632
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145885
2-(4-ethylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109168727
ethyl 6-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55744407
N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145839
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 55820610

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 55744365) is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is CCN1CCN(c2ccc(CNC(=O)c3csc(-c4ccc(OC)cc4)n3)cn2)CC1.
What is the InChIKey of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OZMAGLGTSBFFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-3-27-10-12-28(13-11-27)21-9-4-17(14-24-21)15-25-22(29)20-16-31-23(26-20)18-5-7-19(30-2)8-6-18/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,25,29).
What are the key properties of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55744365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).