5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide

C16H17ClN2O2S — CID 166321367

IUPAC5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide
SMILESCC1CCc2nc(COc3ccc(Cl)cc3C(N)=O)sc2C1
InChIInChI=1S/C16H17ClN2O2S/c1-9-2-4-12-14(6-9)22-15(19-12)8-21-13-5-3-10(17)7-11(13)16(18)20/h3,5,7,9H,2,4,6,8H2,1H3,(H2,18,20)
InChIKeyMPOCCDHIOZITDW-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.60
Rot. Bonds4

About 5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide

5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide (PubChem CID 166321367) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide
PubChem CID166321367
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide
SMILESCC1CCc2nc(COc3ccc(Cl)cc3C(N)=O)sc2C1
InChIInChI=1S/C16H17ClN2O2S/c1-9-2-4-12-14(6-9)22-15(19-12)8-21-13-5-3-10(17)7-11(13)16(18)20/h3,5,7,9H,2,4,6,8H2,1H3,(H2,18,20)
InChIKeyMPOCCDHIOZITDW-UHFFFAOYSA-N
XLogP3.60
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide?
The IUPAC name of 5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide (CID 166321367) is 5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide.
What is the SMILES notation for 5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide?
The canonical SMILES for 5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide is CC1CCc2nc(COc3ccc(Cl)cc3C(N)=O)sc2C1.
What is the InChIKey of 5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide?
The InChIKey is MPOCCDHIOZITDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-9-2-4-12-14(6-9)22-15(19-12)8-21-13-5-3-10(17)7-11(13)16(18)20/h3,5,7,9H,2,4,6,8H2,1H3,(H2,18,20).
What are the key properties of 5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide?
5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide has a molecular weight of 336.84 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 166321367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).