6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine

C12H15ClN2O2S — CID 82549360

IUPAC6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2c(OC)cc(Cl)c(OC)c2s1
InChIInChI=1S/C12H15ClN2O2S/c1-4-5-14-12-15-9-8(16-2)6-7(13)10(17-3)11(9)18-12/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyTXUMNZKELARGOL-UHFFFAOYSA-N
MW286.78 g/mol
LogP3.79
Rot. Bonds5

About 6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine

6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine (PubChem CID 82549360) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine
PubChem CID82549360
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2c(OC)cc(Cl)c(OC)c2s1
InChIInChI=1S/C12H15ClN2O2S/c1-4-5-14-12-15-9-8(16-2)6-7(13)10(17-3)11(9)18-12/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyTXUMNZKELARGOL-UHFFFAOYSA-N
XLogP3.79
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548640
5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine
CID 82548641
5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine
CID 82548547
6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine
CID 82548540
N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549208
methyl 4-chloro-2-(ethylamino)-7-methoxy-1,3-benzothiazole-6-carboxylate
CID 82549216
2-chloro-4,5-dimethoxy-N-propylaniline
CID 43712569
7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549451
5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine
CID 82548631
4,5,6-triethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 96710391
4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
CID 82549536
5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 61037923

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine (CID 82549360) is 6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine is CCCNc1nc2c(OC)cc(Cl)c(OC)c2s1.
What is the InChIKey of 6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine?
The InChIKey is TXUMNZKELARGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-4-5-14-12-15-9-8(16-2)6-7(13)10(17-3)11(9)18-12/h6H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine?
6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine has a molecular weight of 286.78 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).