5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide

C11H11ClN2O2S — CID 924647

IUPAC5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1=NCCS1
InChIInChI=1S/C11H11ClN2O2S/c1-16-9-3-2-7(12)6-8(9)10(15)14-11-13-4-5-17-11/h2-3,6H,4-5H2,1H3,(H,13,14,15)
InChIKeyXZCJRKVVZOMJDE-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.18
Rot. Bonds2

About 5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide

5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide (PubChem CID 924647) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide
PubChem CID924647
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1=NCCS1
InChIInChI=1S/C11H11ClN2O2S/c1-16-9-3-2-7(12)6-8(9)10(15)14-11-13-4-5-17-11/h2-3,6H,4-5H2,1H3,(H,13,14,15)
InChIKeyXZCJRKVVZOMJDE-UHFFFAOYSA-N
XLogP2.18
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide (CID 924647) is 5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC1=NCCS1.
What is the InChIKey of 5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide?
The InChIKey is XZCJRKVVZOMJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-16-9-3-2-7(12)6-8(9)10(15)14-11-13-4-5-17-11/h2-3,6H,4-5H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide?
5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide has a molecular weight of 270.74 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 924647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).