N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

C22H27N5O2S — CID 55820610

IUPACN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3sc(-c4ccc(C)o4)nc3C)cn2)CC1
InChIInChI=1S/C22H27N5O2S/c1-4-26-9-11-27(12-10-26)19-8-6-17(13-23-19)14-24-21(28)20-16(3)25-22(30-20)18-7-5-15(2)29-18/h5-8,13H,4,9-12,14H2,1-3H3,(H,24,28)
InChIKeyMHKRMTISIPVTOF-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.49
Rot. Bonds6

About N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 55820610) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID55820610
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3sc(-c4ccc(C)o4)nc3C)cn2)CC1
InChIInChI=1S/C22H27N5O2S/c1-4-26-9-11-27(12-10-26)19-8-6-17(13-23-19)14-24-21(28)20-16(3)25-22(30-20)18-7-5-15(2)29-18/h5-8,13H,4,9-12,14H2,1-3H3,(H,24,28)
InChIKeyMHKRMTISIPVTOF-UHFFFAOYSA-N
XLogP3.49
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55744365
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55847000
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide
CID 47057738
ethyl 6-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55744407
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 112829886
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
CID 55744551
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 46487138
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55744150
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
CID 11638950
1-(4-chlorophenyl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78879226

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (CID 55820610) is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is CCN1CCN(c2ccc(CNC(=O)c3sc(-c4ccc(C)o4)nc3C)cn2)CC1.
What is the InChIKey of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is MHKRMTISIPVTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-4-26-9-11-27(12-10-26)19-8-6-17(13-23-19)14-24-21(28)20-16(3)25-22(30-20)18-7-5-15(2)29-18/h5-8,13H,4,9-12,14H2,1-3H3,(H,24,28).
What are the key properties of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 3.49, 6 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]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55820610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).