2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine

C9H14N2S — CID 4673867

IUPAC2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
SMILESNCCc1nc2c(s1)CCCC2
InChIInChI=1S/C9H14N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-6,10H2
InChIKeyBDCAMWDLMRVNQN-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.52
Rot. Bonds2

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

2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 4673867) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
PubChem CID4673867
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
SMILESNCCc1nc2c(s1)CCCC2
InChIInChI=1S/C9H14N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-6,10H2
InChIKeyBDCAMWDLMRVNQN-UHFFFAOYSA-N
XLogP1.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Etrabamine
CID 68895
2-(Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 15670034
Manozodil
CID 72110
(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)acetonitrile
CID 17749983
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
4-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-2-methyl-, hydrochloride (1:?)
CID 3059954
6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-dimethyl-, hydrochloride
CID 3059958
6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-diethyl-, hydrochloride
CID 3059962
1-(2-Butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-N-methylmethanamine--hydrogen chloride (1/1)
CID 3059966
1-(2-Butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)-N-methylmethanamine--hydrogen chloride (1/1)
CID 3059968
5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N-methyl-2-(1-methylethyl)-, hydrochloride
CID 3059970

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine (CID 4673867) is 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine is NCCc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is BDCAMWDLMRVNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-6,10H2.
What are the key properties of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 182.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 4673867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).