4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

C17H15N3O2S — CID 45486781

IUPAC4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(C)c2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C17H15N3O2S/c1-20(16(21)13-3-5-14(22-2)6-4-13)17-19-15(11-23-17)12-7-9-18-10-8-12/h3-11H,1-2H3
InChIKeyQNGNSFCTGXNQOR-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.49
Rot. Bonds4

About 4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 45486781) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
PubChem CID45486781
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(C)c2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C17H15N3O2S/c1-20(16(21)13-3-5-14(22-2)6-4-13)17-19-15(11-23-17)12-7-9-18-10-8-12/h3-11H,1-2H3
InChIKeyQNGNSFCTGXNQOR-UHFFFAOYSA-N
XLogP3.49
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (CID 45486781) is 4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)N(C)c2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is QNGNSFCTGXNQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-20(16(21)13-3-5-14(22-2)6-4-13)17-19-15(11-23-17)12-7-9-18-10-8-12/h3-11H,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 325.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 45486781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).