N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide

C19H16N2O3S — CID 7533037

IUPACN-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)c1OC
InChIInChI=1S/C19H16N2O3S/c1-23-14-9-5-8-13(17(14)24-2)18(22)21-19-20-16-12-7-4-3-6-11(12)10-15(16)25-19/h3-9H,10H2,1-2H3,(H,20,21,22)
InChIKeyIGJNTKZFURNNIE-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.98
Rot. Bonds4

About N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide

N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide (PubChem CID 7533037) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide
PubChem CID7533037
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)c1OC
InChIInChI=1S/C19H16N2O3S/c1-23-14-9-5-8-13(17(14)24-2)18(22)21-19-20-16-12-7-4-3-6-11(12)10-15(16)25-19/h3-9H,10H2,1-2H3,(H,20,21,22)
InChIKeyIGJNTKZFURNNIE-UHFFFAOYSA-N
XLogP3.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide (CID 7533037) is N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)c1OC.
What is the InChIKey of N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide?
The InChIKey is IGJNTKZFURNNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-23-14-9-5-8-13(17(14)24-2)18(22)21-19-20-16-12-7-4-3-6-11(12)10-15(16)25-19/h3-9H,10H2,1-2H3,(H,20,21,22).
What are the key properties of N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide?
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide has a molecular weight of 352.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 7533037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).