3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C18H17N3O4S — CID 4686509

IUPAC3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)cc(OC)c1OC
InChIInChI=1S/C18H17N3O4S/c1-23-14-8-11(9-15(24-2)16(14)25-3)17(22)21-18-20-13(10-26-18)12-6-4-5-7-19-12/h4-10H,1-3H3,(H,20,21,22)
InChIKeyITRCEVRHAKKQHS-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.48
Rot. Bonds6

About 3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4686509) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4686509
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)cc(OC)c1OC
InChIInChI=1S/C18H17N3O4S/c1-23-14-8-11(9-15(24-2)16(14)25-3)17(22)21-18-20-13(10-26-18)12-6-4-5-7-19-12/h4-10H,1-3H3,(H,20,21,22)
InChIKeyITRCEVRHAKKQHS-UHFFFAOYSA-N
XLogP3.48
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 4686509) is 3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ITRCEVRHAKKQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-23-14-8-11(9-15(24-2)16(14)25-3)17(22)21-18-20-13(10-26-18)12-6-4-5-7-19-12/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of 3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 371.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4686509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).