3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

C18H15N3O3S — CID 1369403

IUPAC3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C18H15N3O3S/c1-24-15-4-2-3-13(11-15)17(23)20-14-7-5-12(6-8-14)16(22)21-18-19-9-10-25-18/h2-11H,1H3,(H,20,23)(H,19,21,22)
InChIKeyPCZULRUKAZIKIH-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.66
Rot. Bonds5

About 3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 1369403) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
PubChem CID1369403
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C18H15N3O3S/c1-24-15-4-2-3-13(11-15)17(23)20-14-7-5-12(6-8-14)16(22)21-18-19-9-10-25-18/h2-11H,1H3,(H,20,23)(H,19,21,22)
InChIKeyPCZULRUKAZIKIH-UHFFFAOYSA-N
XLogP3.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
4-(ethylamino)-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 25115386
2-methoxy-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}benzamide
CID 1133320
2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 3929327
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721807
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1085315
3,5-dimethoxy-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 2660457
3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654
4-(3,3-dimethylbutyrylamino)-2-methoxy-N-thiazol-2-ylbenzamide
CID 11473488
4-(3,3-Dimethyl-butyrylamino)-3-methoxy-N-thiazol-2-yl-benzamide
CID 16122819
N-(5-(3-(1-acetylpiperazine-4-carbonyl)-4-methoxybenzylthio)thiazol-2-yl)-4-(dimethylamino)benzamide
CID 20635410

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (CID 1369403) is 3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is PCZULRUKAZIKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-24-15-4-2-3-13(11-15)17(23)20-14-7-5-12(6-8-14)16(22)21-18-19-9-10-25-18/h2-11H,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 353.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 1369403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).