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

C15H16N2O3S — CID 60709611

IUPAC2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(O)c(C(=O)Nc2nc3c(s2)CCCC3)c1
InChIInChI=1S/C15H16N2O3S/c1-20-9-6-7-12(18)10(8-9)14(19)17-15-16-11-4-2-3-5-13(11)21-15/h6-8,18H,2-5H2,1H3,(H,16,17,19)
InChIKeyKPRKBYZSKSQHNL-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.99
Rot. Bonds3

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

2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 60709611) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID60709611
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(O)c(C(=O)Nc2nc3c(s2)CCCC3)c1
InChIInChI=1S/C15H16N2O3S/c1-20-9-6-7-12(18)10(8-9)14(19)17-15-16-11-4-2-3-5-13(11)21-15/h6-8,18H,2-5H2,1H3,(H,16,17,19)
InChIKeyKPRKBYZSKSQHNL-UHFFFAOYSA-N
XLogP2.99
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (CID 60709611) is 2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is COc1ccc(O)c(C(=O)Nc2nc3c(s2)CCCC3)c1.
What is the InChIKey of 2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is KPRKBYZSKSQHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-9-6-7-12(18)10(8-9)14(19)17-15-16-11-4-2-3-5-13(11)21-15/h6-8,18H,2-5H2,1H3,(H,16,17,19).
What are the key properties of 2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 304.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 60709611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).