ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine

C12H19N3S — CID 142222190

IUPACethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine
SMILESCC.CCNc1ccc2sc(NC)nc2c1
InChIInChI=1S/C10H13N3S.C2H6/c1-3-12-7-4-5-9-8(6-7)13-10(11-2)14-9;1-2/h4-6,12H,3H2,1-2H3,(H,11,13);1-2H3
InChIKeyPUUXNTUKTOUBPG-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.80
Rot. Bonds3

About ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine

ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine (PubChem CID 142222190) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine.

Molecular Properties

Compound Nameethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine
PubChem CID142222190
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Nameethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine
SMILESCC.CCNc1ccc2sc(NC)nc2c1
InChIInChI=1S/C10H13N3S.C2H6/c1-3-12-7-4-5-9-8(6-7)13-10(11-2)14-9;1-2/h4-6,12H,3H2,1-2H3,(H,11,13);1-2H3
InChIKeyPUUXNTUKTOUBPG-UHFFFAOYSA-N
XLogP3.80
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-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 ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine?
The IUPAC name of ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine (CID 142222190) is ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine.
What is the SMILES notation for ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine?
The canonical SMILES for ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine is CC.CCNc1ccc2sc(NC)nc2c1.
What is the InChIKey of ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine?
The InChIKey is PUUXNTUKTOUBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S.C2H6/c1-3-12-7-4-5-9-8(6-7)13-10(11-2)14-9;1-2/h4-6,12H,3H2,1-2H3,(H,11,13);1-2H3.
What are the key properties of ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine?
ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine has a molecular weight of 237.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine is sourced from PubChem (CID 142222190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).