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

C14H21NO3S — CID 116775215

IUPAC2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCOC1(c2nc3c(s2)C(O)CCC3)CCOCC1
InChIInChI=1S/C14H21NO3S/c1-2-18-14(6-8-17-9-7-14)13-15-10-4-3-5-11(16)12(10)19-13/h11,16H,2-9H2,1H3
InChIKeyAFPRKWYTAHNCBY-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.56
Rot. Bonds3

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

2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 116775215) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID116775215
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCOC1(c2nc3c(s2)C(O)CCC3)CCOCC1
InChIInChI=1S/C14H21NO3S/c1-2-18-14(6-8-17-9-7-14)13-15-10-4-3-5-11(16)12(10)19-13/h11,16H,2-9H2,1H3
InChIKeyAFPRKWYTAHNCBY-UHFFFAOYSA-N
XLogP2.56
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774418
2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774406
2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774433
2-(1-methoxybutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 116728212
4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360222
2-(2-ethoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 116728218
[4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114361912
2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116774459
2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 55112269
1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol
CID 116775247
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775670
2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine
CID 116782575

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 116775215) is 2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CCOC1(c2nc3c(s2)C(O)CCC3)CCOCC1.
What is the InChIKey of 2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is AFPRKWYTAHNCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-2-18-14(6-8-17-9-7-14)13-15-10-4-3-5-11(16)12(10)19-13/h11,16H,2-9H2,1H3.
What are the key properties of 2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 283.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 116775215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).