7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine

C15H13ClN2O2S — CID 43306672

IUPAC7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3cccc(Cl)c3s2)cc1OC
InChIInChI=1S/C15H13ClN2O2S/c1-19-12-7-6-9(8-13(12)20-2)17-15-18-11-5-3-4-10(16)14(11)21-15/h3-8H,1-2H3,(H,17,18)
InChIKeyNCUSBBOLOVNBAQ-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.71
Rot. Bonds4

About 7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine

7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine (PubChem CID 43306672) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
PubChem CID43306672
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3cccc(Cl)c3s2)cc1OC
InChIInChI=1S/C15H13ClN2O2S/c1-19-12-7-6-9(8-13(12)20-2)17-15-18-11-5-3-4-10(16)14(11)21-15/h3-8H,1-2H3,(H,17,18)
InChIKeyNCUSBBOLOVNBAQ-UHFFFAOYSA-N
XLogP4.71
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 107622332
7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306199
7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 43306507
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524842
7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306599
7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine
CID 107645443
N-(4-chloro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 7513006
4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine
CID 43426983
4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 79400359
2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one
CID 110193650

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine (CID 43306672) is 7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine is COc1ccc(Nc2nc3cccc(Cl)c3s2)cc1OC.
What is the InChIKey of 7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is NCUSBBOLOVNBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-19-12-7-6-9(8-13(12)20-2)17-15-18-11-5-3-4-10(16)14(11)21-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine?
7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 320.80 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).