2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C15H15ClN2O2S — CID 7948511

IUPAC2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H15ClN2O2S/c16-10-5-1-3-7-12(10)20-9-14(19)18-15-17-11-6-2-4-8-13(11)21-15/h1,3,5,7H,2,4,6,8-9H2,(H,17,18,19)
InChIKeyPNSBFVZCWOPIRS-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.69
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 7948511) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID7948511
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H15ClN2O2S/c16-10-5-1-3-7-12(10)20-9-14(19)18-15-17-11-6-2-4-8-13(11)21-15/h1,3,5,7H,2,4,6,8-9H2,(H,17,18,19)
InChIKeyPNSBFVZCWOPIRS-UHFFFAOYSA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 7948511) is 2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(COc1ccccc1Cl)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is PNSBFVZCWOPIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-10-5-1-3-7-12(10)20-9-14(19)18-15-17-11-6-2-4-8-13(11)21-15/h1,3,5,7H,2,4,6,8-9H2,(H,17,18,19).
What are the key properties of 2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 322.82 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7948511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).