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

C14H11ClN2S2 — CID 43306507

IUPAC7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
SMILESCSc1cccc(Nc2nc3cccc(Cl)c3s2)c1
InChIInChI=1S/C14H11ClN2S2/c1-18-10-5-2-4-9(8-10)16-14-17-12-7-3-6-11(15)13(12)19-14/h2-8H,1H3,(H,16,17)
InChIKeyKQHQSSZOIUIVKC-UHFFFAOYSA-N
MW306.84 g/mol
LogP5.42
Rot. Bonds3

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

7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 43306507) has the molecular formula C14H11ClN2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
PubChem CID43306507
Molecular FormulaC14H11ClN2S2
Molecular Weight306.84 g/mol
Exact Mass306.01
IUPAC Name7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
SMILESCSc1cccc(Nc2nc3cccc(Cl)c3s2)c1
InChIInChI=1S/C14H11ClN2S2/c1-18-10-5-2-4-9(8-10)16-14-17-12-7-3-6-11(15)13(12)19-14/h2-8H,1H3,(H,16,17)
InChIKeyKQHQSSZOIUIVKC-UHFFFAOYSA-N
XLogP5.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.84
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306199
7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 43306672
7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 107622332
6-bromo-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 79534156
6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 53414965
7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine
CID 107645443
4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 79399128
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306599
7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306686
N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine
CID 7489935
7-chloro-N-(1-ethylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 43543935

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine (CID 43306507) is 7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine is CSc1cccc(Nc2nc3cccc(Cl)c3s2)c1.
What is the InChIKey of 7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is KQHQSSZOIUIVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S2/c1-18-10-5-2-4-9(8-10)16-14-17-12-7-3-6-11(15)13(12)19-14/h2-8H,1H3,(H,16,17).
What are the key properties of 7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine?
7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 306.84 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).