N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine

C11H18N2S — CID 62543857

IUPACN-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C11H18N2S/c1-3-12-7-11-13-9-5-4-8(2)6-10(9)14-11/h8,12H,3-7H2,1-2H3
InChIKeyLGFYVUOINGVDGW-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.38
Rot. Bonds3

About N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine

N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine (PubChem CID 62543857) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
PubChem CID62543857
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C11H18N2S/c1-3-12-7-11-13-9-5-4-8(2)6-10(9)14-11/h8,12H,3-7H2,1-2H3
InChIKeyLGFYVUOINGVDGW-UHFFFAOYSA-N
XLogP2.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Manozodil
CID 72110
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-dimethyl-, hydrochloride (1:?)
CID 198580
1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-4-yl)methanamine--hydrogen chloride (1/1)
CID 3059950
4-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N-methyl-, hydrochloride
CID 3059952
4-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-2-methyl-, hydrochloride (1:?)
CID 3059954
N-Methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1)
CID 3059956
6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-dimethyl-, hydrochloride
CID 3059958
1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-6-yl)methanamine--hydrogen chloride (1/1)
CID 3059960
6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-diethyl-, hydrochloride
CID 3059962
6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N-propyl-, hydrochloride
CID 3059964
1-(2-Butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-N-methylmethanamine--hydrogen chloride (1/1)
CID 3059966

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine (CID 62543857) is N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine is CCNCc1nc2c(s1)CC(C)CC2.
What is the InChIKey of N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
The InChIKey is LGFYVUOINGVDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-12-7-11-13-9-5-4-8(2)6-10(9)14-11/h8,12H,3-7H2,1-2H3.
What are the key properties of N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine has a molecular weight of 210.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62543857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).