1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine

C10H11ClN2S — CID 83756288

IUPAC1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2c(C)c(Cl)ccc2s1
InChIInChI=1S/C10H11ClN2S/c1-6-7(11)3-4-8-10(6)13-9(14-8)5-12-2/h3-4,12H,5H2,1-2H3
InChIKeyKCURKVPMTBKCOO-UHFFFAOYSA-N
MW226.73 g/mol
LogP2.98
Rot. Bonds2

About 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine

1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine (PubChem CID 83756288) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine
PubChem CID83756288
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2c(C)c(Cl)ccc2s1
InChIInChI=1S/C10H11ClN2S/c1-6-7(11)3-4-8-10(6)13-9(14-8)5-12-2/h3-4,12H,5H2,1-2H3
InChIKeyKCURKVPMTBKCOO-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine (CID 83756288) is 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine is CNCc1nc2c(C)c(Cl)ccc2s1.
What is the InChIKey of 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine?
The InChIKey is KCURKVPMTBKCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c1-6-7(11)3-4-8-10(6)13-9(14-8)5-12-2/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine?
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine has a molecular weight of 226.73 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 83756288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).