N,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine

C20H30N4S2 — CID 42602908

IUPACN,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine
SMILESCCN(CCN(CC)C1CCc2ncsc2C1)C1CCc2ncsc2C1
InChIInChI=1S/C20H30N4S2/c1-3-23(15-5-7-17-19(11-15)25-13-21-17)9-10-24(4-2)16-6-8-18-20(12-16)26-14-22-18/h13-16H,3-12H2,1-2H3
InChIKeyMTKLADMEMSMOTF-UHFFFAOYSA-N
MW390.62 g/mol
LogP3.66
Rot. Bonds7

About N,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine

N,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine (PubChem CID 42602908) has the molecular formula C20H30N4S2 and a molecular weight of 390.62 g/mol. Its IUPAC name is N,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine
PubChem CID42602908
Molecular FormulaC20H30N4S2
Molecular Weight390.62 g/mol
Exact Mass390.19
IUPAC NameN,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine
SMILESCCN(CCN(CC)C1CCc2ncsc2C1)C1CCc2ncsc2C1
InChIInChI=1S/C20H30N4S2/c1-3-23(15-5-7-17-19(11-15)25-13-21-17)9-10-24(4-2)16-6-8-18-20(12-16)26-14-22-18/h13-16H,3-12H2,1-2H3
InChIKeyMTKLADMEMSMOTF-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-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,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine (CID 42602908) is N,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine is CCN(CCN(CC)C1CCc2ncsc2C1)C1CCc2ncsc2C1.
What is the InChIKey of N,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine?
The InChIKey is MTKLADMEMSMOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4S2/c1-3-23(15-5-7-17-19(11-15)25-13-21-17)9-10-24(4-2)16-6-8-18-20(12-16)26-14-22-18/h13-16H,3-12H2,1-2H3.
What are the key properties of N,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine?
N,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine has a molecular weight of 390.62 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N,N'-bis(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 42602908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).