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

C11H18N2S — CID 71931732

IUPACN-ethyl-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCN(C)C1CCCc2nc(C)sc21
InChIInChI=1S/C11H18N2S/c1-4-13(3)10-7-5-6-9-11(10)14-8(2)12-9/h10H,4-7H2,1-3H3
InChIKeyUTPAMPCZUPJVAO-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.78
Rot. Bonds2

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

N-ethyl-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 71931732) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-ethyl-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID71931732
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-ethyl-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCN(C)C1CCCc2nc(C)sc21
InChIInChI=1S/C11H18N2S/c1-4-13(3)10-7-5-6-9-11(10)14-8(2)12-9/h10H,4-7H2,1-3H3
InChIKeyUTPAMPCZUPJVAO-UHFFFAOYSA-N
XLogP2.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-ethyl-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 71931732) is N-ethyl-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-ethyl-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCN(C)C1CCCc2nc(C)sc21.
What is the InChIKey of N-ethyl-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is UTPAMPCZUPJVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-4-13(3)10-7-5-6-9-11(10)14-8(2)12-9/h10H,4-7H2,1-3H3.
What are the key properties of N-ethyl-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-ethyl-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 210.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 71931732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).