N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine

C13H17N5S2 — CID 47018446

IUPACN,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1cn2nc(NCC(c3cccs3)N(C)C)sc2n1
InChIInChI=1S/C13H17N5S2/c1-9-8-18-13(15-9)20-12(16-18)14-7-10(17(2)3)11-5-4-6-19-11/h4-6,8,10H,7H2,1-3H3,(H,14,16)
InChIKeyBDPMCFNFELPANF-UHFFFAOYSA-N
MW307.45 g/mol
LogP2.88
Rot. Bonds5

About N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine

N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 47018446) has the molecular formula C13H17N5S2 and a molecular weight of 307.45 g/mol. Its IUPAC name is N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID47018446
Molecular FormulaC13H17N5S2
Molecular Weight307.45 g/mol
Exact Mass307.09
IUPAC NameN,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1cn2nc(NCC(c3cccs3)N(C)C)sc2n1
InChIInChI=1S/C13H17N5S2/c1-9-8-18-13(15-9)20-12(16-18)14-7-10(17(2)3)11-5-4-6-19-11/h4-6,8,10H,7H2,1-3H3,(H,14,16)
InChIKeyBDPMCFNFELPANF-UHFFFAOYSA-N
XLogP2.88
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-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-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine (CID 47018446) is N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine is Cc1cn2nc(NCC(c3cccs3)N(C)C)sc2n1.
What is the InChIKey of N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is BDPMCFNFELPANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S2/c1-9-8-18-13(15-9)20-12(16-18)14-7-10(17(2)3)11-5-4-6-19-11/h4-6,8,10H,7H2,1-3H3,(H,14,16).
What are the key properties of N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 307.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 47018446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).