2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol

C11H18N2OS — CID 46784942

IUPAC2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol
SMILESCC(NCCO)c1nc2c(s1)CCCC2
InChIInChI=1S/C11H18N2OS/c1-8(12-6-7-14)11-13-9-4-2-3-5-10(9)15-11/h8,12,14H,2-7H2,1H3
InChIKeyKVTCOUWBVULPNV-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.66
Rot. Bonds4

About 2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol

2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol (PubChem CID 46784942) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol
PubChem CID46784942
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol
SMILESCC(NCCO)c1nc2c(s1)CCCC2
InChIInChI=1S/C11H18N2OS/c1-8(12-6-7-14)11-13-9-4-2-3-5-10(9)15-11/h8,12,14H,2-7H2,1H3
InChIKeyKVTCOUWBVULPNV-UHFFFAOYSA-N
XLogP1.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol?
The IUPAC name of 2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol (CID 46784942) is 2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol?
The canonical SMILES for 2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol is CC(NCCO)c1nc2c(s1)CCCC2.
What is the InChIKey of 2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol?
The InChIKey is KVTCOUWBVULPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(12-6-7-14)11-13-9-4-2-3-5-10(9)15-11/h8,12,14H,2-7H2,1H3.
What are the key properties of 2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol?
2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol has a molecular weight of 226.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol is sourced from PubChem (CID 46784942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).