N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine

C11H15N3S — CID 82191548

IUPACN'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
SMILESCc1ccc(C)c2sc(NCCN)nc12
InChIInChI=1S/C11H15N3S/c1-7-3-4-8(2)10-9(7)14-11(15-10)13-6-5-12/h3-4H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyUQZQNXLDGSZWEK-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.28
Rot. Bonds3

About N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine

N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine (PubChem CID 82191548) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
PubChem CID82191548
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
SMILESCc1ccc(C)c2sc(NCCN)nc12
InChIInChI=1S/C11H15N3S/c1-7-3-4-8(2)10-9(7)14-11(15-10)13-6-5-12/h3-4H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyUQZQNXLDGSZWEK-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine
CID 2049854
N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 71300260
4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
CID 82549536
N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 82191542
2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine
CID 123936101
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 9185268
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine
CID 79147292
2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol
CID 138721464
(2R)-2-acetamido-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 31893063
2-methyl-1-N-(7-methyl-1,3-benzothiazol-2-yl)propane-1,2-diamine
CID 120665841
N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine
CID 107844668

Frequently Asked Questions

What is the IUPAC name of N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine (CID 82191548) is N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine is Cc1ccc(C)c2sc(NCCN)nc12.
What is the InChIKey of N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine?
The InChIKey is UQZQNXLDGSZWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-7-3-4-8(2)10-9(7)14-11(15-10)13-6-5-12/h3-4H,5-6,12H2,1-2H3,(H,13,14).
What are the key properties of N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine?
N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine has a molecular weight of 221.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82191548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).