N'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine

C21H24N4S — CID 10109386

IUPACN'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1ccc(-c2n[nH]c3c2sc2ccccc23)cc1
InChIInChI=1S/C21H24N4S/c1-24(2)12-13-25(3)14-15-8-10-16(11-9-15)19-21-20(23-22-19)17-6-4-5-7-18(17)26-21/h4-11H,12-14H2,1-3H3,(H,22,23)
InChIKeyHYGVWTVZFKQPIG-UHFFFAOYSA-N
MW364.52 g/mol
LogP4.44
Rot. Bonds6

About N'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 10109386) has the molecular formula C21H24N4S and a molecular weight of 364.52 g/mol. Its IUPAC name is N'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID10109386
Molecular FormulaC21H24N4S
Molecular Weight364.52 g/mol
Exact Mass364.17
IUPAC NameN'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1ccc(-c2n[nH]c3c2sc2ccccc23)cc1
InChIInChI=1S/C21H24N4S/c1-24(2)12-13-25(3)14-15-8-10-16(11-9-15)19-21-20(23-22-19)17-6-4-5-7-18(17)26-21/h4-11H,12-14H2,1-3H3,(H,22,23)
InChIKeyHYGVWTVZFKQPIG-UHFFFAOYSA-N
XLogP4.44
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 10109386) is N'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)Cc1ccc(-c2n[nH]c3c2sc2ccccc23)cc1.
What is the InChIKey of N'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is HYGVWTVZFKQPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4S/c1-24(2)12-13-25(3)14-15-8-10-16(11-9-15)19-21-20(23-22-19)17-6-4-5-7-18(17)26-21/h4-11H,12-14H2,1-3H3,(H,22,23).
What are the key properties of N'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 364.52 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(1H-[1]benzothiolo[3,2-c]pyrazol-3-yl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 10109386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).