N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine

C25H24N4OS — CID 45211411

IUPACN-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(c1nccs1)N(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C25H24N4OS/c1-18(25-26-12-13-31-25)28(2)16-21-17-29(15-19-8-4-3-5-9-19)27-24(21)23-14-20-10-6-7-11-22(20)30-23/h3-14,17-18H,15-16H2,1-2H3
InChIKeyVVAHOECCEBUWRC-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.99
Rot. Bonds7

About N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine

N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 45211411) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID45211411
Molecular FormulaC25H24N4OS
Molecular Weight428.56 g/mol
Exact Mass428.17
IUPAC NameN-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(c1nccs1)N(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C25H24N4OS/c1-18(25-26-12-13-31-25)28(2)16-21-17-29(15-19-8-4-3-5-9-19)27-24(21)23-14-20-10-6-7-11-22(20)30-23/h3-14,17-18H,15-16H2,1-2H3
InChIKeyVVAHOECCEBUWRC-UHFFFAOYSA-N
XLogP5.99
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine 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

3-benzyl-2-[3-(5-methyl-2-furyl)-1-phenyl-1H-pyrazol-4-yl]-1,3-thiazolidin-4-one
CID 2873894
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-(1,3-thiazol-2-ylmethylcarbamoyl)pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76321797
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide
CID 166630923
4-(1-Benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2370900
2-[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]-3-benzyl-1,3-thiazolidin-4-one
CID 3377717
(Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one
CID 6023798
1-benzyl-5-[3-(5-methyl-2-furyl)butyl]-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45163752
1-(cyclopropylmethyl)-5-[3-(5-methyl-2-furyl)butyl]-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45164190
(2Z)-3-(1-benzofuran-2-yl)-2-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-1,4-benzothiazine
CID 52941082
2-[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 127031707
1-{[3-(1-benzofuran-2-yl)-1-benzyl-1H-pyrazol-4-yl]methyl}-4-(4-pyridinyl)piperazine
CID 42344689
4-(1-benzofuran-2-yl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1,3-thiazol-2-amine
CID 76329790

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine (CID 45211411) is N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine is CC(c1nccs1)N(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1.
What is the InChIKey of N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is VVAHOECCEBUWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS/c1-18(25-26-12-13-31-25)28(2)16-21-17-29(15-19-8-4-3-5-9-19)27-24(21)23-14-20-10-6-7-11-22(20)30-23/h3-14,17-18H,15-16H2,1-2H3.
What are the key properties of N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 428.56 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 45211411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).