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

C17H15N3O2S — CID 160695214

IUPAC4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCOc1ccc(C(N)=O)cc1Cc1nc(-c2cccnc2)cs1
InChIInChI=1S/C17H15N3O2S/c1-22-15-5-4-11(17(18)21)7-13(15)8-16-20-14(10-23-16)12-3-2-6-19-9-12/h2-7,9-10H,8H2,1H3,(H2,18,21)
InChIKeyRPXGLKWKMHSYGN-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.90
Rot. Bonds5

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

4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 160695214) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID160695214
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCOc1ccc(C(N)=O)cc1Cc1nc(-c2cccnc2)cs1
InChIInChI=1S/C17H15N3O2S/c1-22-15-5-4-11(17(18)21)7-13(15)8-16-20-14(10-23-16)12-3-2-6-19-9-12/h2-7,9-10H,8H2,1H3,(H2,18,21)
InChIKeyRPXGLKWKMHSYGN-UHFFFAOYSA-N
XLogP2.90
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
CID 159105325
3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
CID 152878110
3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 86665636
4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 159526318
3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 162029801
2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-ethoxybenzamide
CID 157087851
4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide
CID 57473574
4-ethoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;1-[4-methoxy-2-methyl-5-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;1-[3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]ethanone;1-[4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]ethanone;1-[4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]propan-2-one;2-[(2-methyl-1-benzofuran-7-yl)methyl]-4-pyridin-3-yl-1,3-thiazole;4-propan-2-yloxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 159458048
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 82118916
3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116968292

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide (CID 160695214) is 4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide is COc1ccc(C(N)=O)cc1Cc1nc(-c2cccnc2)cs1.
What is the InChIKey of 4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is RPXGLKWKMHSYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-22-15-5-4-11(17(18)21)7-13(15)8-16-20-14(10-23-16)12-3-2-6-19-9-12/h2-7,9-10H,8H2,1H3,(H2,18,21).
What are the key properties of 4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide?
4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 325.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 160695214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).