4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide

C18H13ClN2O2S — CID 1078725

IUPAC4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide
SMILESCOc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(Cl)cc3)nc1-2
InChIInChI=1S/C18H13ClN2O2S/c1-23-13-6-7-14-11(8-13)9-15-16(14)20-18(24-15)21-17(22)10-2-4-12(19)5-3-10/h2-8H,9H2,1H3,(H,20,21,22)
InChIKeyJNIMZQLRTDSHFX-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.63
Rot. Bonds3

About 4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide

4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide (PubChem CID 1078725) has the molecular formula C18H13ClN2O2S and a molecular weight of 356.83 g/mol. Its IUPAC name is 4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide
PubChem CID1078725
Molecular FormulaC18H13ClN2O2S
Molecular Weight356.83 g/mol
Exact Mass356.04
IUPAC Name4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide
SMILESCOc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(Cl)cc3)nc1-2
InChIInChI=1S/C18H13ClN2O2S/c1-23-13-6-7-14-11(8-13)9-15-16(14)20-18(24-15)21-17(22)10-2-4-12(19)5-3-10/h2-8H,9H2,1H3,(H,20,21,22)
InChIKeyJNIMZQLRTDSHFX-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide (CID 1078725) is 4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide is COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(Cl)cc3)nc1-2.
What is the InChIKey of 4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide?
The InChIKey is JNIMZQLRTDSHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2S/c1-23-13-6-7-14-11(8-13)9-15-16(14)20-18(24-15)21-17(22)10-2-4-12(19)5-3-10/h2-8H,9H2,1H3,(H,20,21,22).
What are the key properties of 4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide?
4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide has a molecular weight of 356.83 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 1078725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).