2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C10H16N2S — CID 62079696

IUPAC2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCc1nc2c(s1)C(NC)CCC2
InChIInChI=1S/C10H16N2S/c1-3-9-12-8-6-4-5-7(11-2)10(8)13-9/h7,11H,3-6H2,1-2H3
InChIKeyCMHADCHORCQGAC-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.30
Rot. Bonds2

About 2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62079696) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62079696
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCc1nc2c(s1)C(NC)CCC2
InChIInChI=1S/C10H16N2S/c1-3-9-12-8-6-4-5-7(11-2)10(8)13-9/h7,11H,3-6H2,1-2H3
InChIKeyCMHADCHORCQGAC-UHFFFAOYSA-N
XLogP2.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62079696) is 2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCc1nc2c(s1)C(NC)CCC2.
What is the InChIKey of 2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is CMHADCHORCQGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-9-12-8-6-4-5-7(11-2)10(8)13-9/h7,11H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 196.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62079696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).