5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine

C10H10Cl2N2OS — CID 82548636

IUPAC5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine
SMILESCCOc1c(Cl)cc(Cl)c2sc(NC)nc12
InChIInChI=1S/C10H10Cl2N2OS/c1-3-15-8-5(11)4-6(12)9-7(8)14-10(13-2)16-9/h4H,3H2,1-2H3,(H,13,14)
InChIKeyIDPQICZOLUYKAA-UHFFFAOYSA-N
MW277.18 g/mol
LogP4.04
Rot. Bonds3

About 5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine

5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 82548636) has the molecular formula C10H10Cl2N2OS and a molecular weight of 277.18 g/mol. Its IUPAC name is 5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine
PubChem CID82548636
Molecular FormulaC10H10Cl2N2OS
Molecular Weight277.18 g/mol
Exact Mass275.99
IUPAC Name5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine
SMILESCCOc1c(Cl)cc(Cl)c2sc(NC)nc12
InChIInChI=1S/C10H10Cl2N2OS/c1-3-15-8-5(11)4-6(12)9-7(8)14-10(13-2)16-9/h4H,3H2,1-2H3,(H,13,14)
InChIKeyIDPQICZOLUYKAA-UHFFFAOYSA-N
XLogP4.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine
CID 82548631
5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine
CID 82548641
6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine
CID 82548540
5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548640
6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine
CID 82548663
7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 96710360
4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine
CID 82549012
5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
CID 96710399
7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549451
methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate
CID 82549217
2-(3-chloro-4,5-diethoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 20984453
7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine
CID 82548927

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine (CID 82548636) is 5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine is CCOc1c(Cl)cc(Cl)c2sc(NC)nc12.
What is the InChIKey of 5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is IDPQICZOLUYKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2OS/c1-3-15-8-5(11)4-6(12)9-7(8)14-10(13-2)16-9/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine?
5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 277.18 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).