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

C15H15ClN2O2S — CID 887954

IUPAC5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H15ClN2O2S/c1-20-12-7-6-9(16)8-10(12)14(19)18-15-17-11-4-2-3-5-13(11)21-15/h6-8H,2-5H2,1H3,(H,17,18,19)
InChIKeyWGWILZHXUSAGBT-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.94
Rot. Bonds3

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

5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 887954) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID887954
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H15ClN2O2S/c1-20-12-7-6-9(16)8-10(12)14(19)18-15-17-11-4-2-3-5-13(11)21-15/h6-8H,2-5H2,1H3,(H,17,18,19)
InChIKeyWGWILZHXUSAGBT-UHFFFAOYSA-N
XLogP3.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (CID 887954) is 5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is COc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is WGWILZHXUSAGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-20-12-7-6-9(16)8-10(12)14(19)18-15-17-11-4-2-3-5-13(11)21-15/h6-8H,2-5H2,1H3,(H,17,18,19).
What are the key properties of 5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 322.82 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 887954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).