3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide

C18H19ClN4O3S — CID 24658694

IUPAC3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2nc(C)c(-c3nccn3C)s2)cc1OC
InChIInChI=1S/C18H19ClN4O3S/c1-5-26-14-12(19)8-11(9-13(14)25-4)17(24)22-18-21-10(2)15(27-18)16-20-6-7-23(16)3/h6-9H,5H2,1-4H3,(H,21,22,24)
InChIKeyDSVARCNMZDNMMA-UHFFFAOYSA-N
MW406.90 g/mol
LogP4.17
Rot. Bonds6

About 3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide

3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 24658694) has the molecular formula C18H19ClN4O3S and a molecular weight of 406.90 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID24658694
Molecular FormulaC18H19ClN4O3S
Molecular Weight406.90 g/mol
Exact Mass406.09
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2nc(C)c(-c3nccn3C)s2)cc1OC
InChIInChI=1S/C18H19ClN4O3S/c1-5-26-14-12(19)8-11(9-13(14)25-4)17(24)22-18-21-10(2)15(27-18)16-20-6-7-23(16)3/h6-9H,5H2,1-4H3,(H,21,22,24)
InChIKeyDSVARCNMZDNMMA-UHFFFAOYSA-N
XLogP4.17
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide (CID 24658694) is 3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide is CCOc1c(Cl)cc(C(=O)Nc2nc(C)c(-c3nccn3C)s2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is DSVARCNMZDNMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S/c1-5-26-14-12(19)8-11(9-13(14)25-4)17(24)22-18-21-10(2)15(27-18)16-20-6-7-23(16)3/h6-9H,5H2,1-4H3,(H,21,22,24).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 406.90 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24658694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).