N-ethyl-4-methyl-1,3-benzothiazol-2-amine

C10H12N2S — CID 2376040

IUPACN-ethyl-4-methyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2c(C)cccc2s1
InChIInChI=1S/C10H12N2S/c1-3-11-10-12-9-7(2)5-4-6-8(9)13-10/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyGZEPBFKXMZBPFQ-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.04
Rot. Bonds2

About N-ethyl-4-methyl-1,3-benzothiazol-2-amine

N-ethyl-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 2376040) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is N-ethyl-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1,3-benzothiazol-2-amine
PubChem CID2376040
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC NameN-ethyl-4-methyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2c(C)cccc2s1
InChIInChI=1S/C10H12N2S/c1-3-11-10-12-9-7(2)5-4-6-8(9)13-10/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyGZEPBFKXMZBPFQ-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-ethyl-4-methyl-1,3-benzothiazol-2-amine (CID 2376040) is N-ethyl-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1,3-benzothiazol-2-amine is CCNc1nc2c(C)cccc2s1.
What is the InChIKey of N-ethyl-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is GZEPBFKXMZBPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-3-11-10-12-9-7(2)5-4-6-8(9)13-10/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of N-ethyl-4-methyl-1,3-benzothiazol-2-amine?
N-ethyl-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 192.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2376040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).