5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine

C11H12Cl2N2OS — CID 82548640

IUPAC5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2c(OC)c(Cl)cc(Cl)c2s1
InChIInChI=1S/C11H12Cl2N2OS/c1-3-4-14-11-15-8-9(16-2)6(12)5-7(13)10(8)17-11/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyQGWCVAGYFWHMDT-UHFFFAOYSA-N
MW291.20 g/mol
LogP4.43
Rot. Bonds4

About 5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine

5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine (PubChem CID 82548640) has the molecular formula C11H12Cl2N2OS and a molecular weight of 291.20 g/mol. Its IUPAC name is 5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine
PubChem CID82548640
Molecular FormulaC11H12Cl2N2OS
Molecular Weight291.20 g/mol
Exact Mass290.00
IUPAC Name5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2c(OC)c(Cl)cc(Cl)c2s1
InChIInChI=1S/C11H12Cl2N2OS/c1-3-4-14-11-15-8-9(16-2)6(12)5-7(13)10(8)17-11/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyQGWCVAGYFWHMDT-UHFFFAOYSA-N
XLogP4.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine
CID 82548641
6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549360
5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine
CID 82548631
5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine
CID 82548547
5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82548636
methyl 4-chloro-2-(ethylamino)-7-methoxy-1,3-benzothiazole-6-carboxylate
CID 82549216
4,5,6-triethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 96710391
4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549380
7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 96710360
4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548668
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082763
4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol
CID 45120026

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine (CID 82548640) is 5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine is CCCNc1nc2c(OC)c(Cl)cc(Cl)c2s1.
What is the InChIKey of 5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine?
The InChIKey is QGWCVAGYFWHMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2OS/c1-3-4-14-11-15-8-9(16-2)6(12)5-7(13)10(8)17-11/h5H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine?
5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine has a molecular weight of 291.20 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).