6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine

C12H9Cl2N3S2 — CID 164612146

IUPAC6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine
SMILESCN(Cc1ncc(Cl)s1)c1cc2cnsc2cc1Cl
InChIInChI=1S/C12H9Cl2N3S2/c1-17(6-12-15-5-11(14)18-12)9-2-7-4-16-19-10(7)3-8(9)13/h2-5H,6H2,1H3
InChIKeyFRTVNJSNLFFXCX-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.70
Rot. Bonds3

About 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine

6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine (PubChem CID 164612146) has the molecular formula C12H9Cl2N3S2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine.

Molecular Properties

Compound Name6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine
PubChem CID164612146
Molecular FormulaC12H9Cl2N3S2
Molecular Weight330.27 g/mol
Exact Mass328.96
IUPAC Name6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine
SMILESCN(Cc1ncc(Cl)s1)c1cc2cnsc2cc1Cl
InChIInChI=1S/C12H9Cl2N3S2/c1-17(6-12-15-5-11(14)18-12)9-2-7-4-16-19-10(7)3-8(9)13/h2-5H,6H2,1H3
InChIKeyFRTVNJSNLFFXCX-UHFFFAOYSA-N
XLogP4.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine?
The IUPAC name of 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine (CID 164612146) is 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine.
What is the SMILES notation for 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine?
The canonical SMILES for 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine is CN(Cc1ncc(Cl)s1)c1cc2cnsc2cc1Cl.
What is the InChIKey of 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine?
The InChIKey is FRTVNJSNLFFXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3S2/c1-17(6-12-15-5-11(14)18-12)9-2-7-4-16-19-10(7)3-8(9)13/h2-5H,6H2,1H3.
What are the key properties of 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine?
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine has a molecular weight of 330.27 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine is sourced from PubChem (CID 164612146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).