4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide

C18H17N3O3S — CID 87521287

IUPAC4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide
SMILESCOc1ccc(Nc2ncc(NC(=O)c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C18H17N3O3S/c1-23-14-7-3-12(4-8-14)17(22)21-16-11-19-18(25-16)20-13-5-9-15(24-2)10-6-13/h3-11H,1-2H3,(H,19,20)(H,21,22)
InChIKeyQMPUSGVPOGCEIP-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.16
Rot. Bonds6

About 4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide

4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide (PubChem CID 87521287) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide
PubChem CID87521287
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide
SMILESCOc1ccc(Nc2ncc(NC(=O)c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C18H17N3O3S/c1-23-14-7-3-12(4-8-14)17(22)21-16-11-19-18(25-16)20-13-5-9-15(24-2)10-6-13/h3-11H,1-2H3,(H,19,20)(H,21,22)
InChIKeyQMPUSGVPOGCEIP-UHFFFAOYSA-N
XLogP4.16
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide
CID 87520516
methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
CID 112987995
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 59453488
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 46234817
N-(4,5-dimethylthiophen-2-yl)-4-methoxybenzamide
CID 1382571
2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 59453545

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide (CID 87521287) is 4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide is COc1ccc(Nc2ncc(NC(=O)c3ccc(OC)cc3)s2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide?
The InChIKey is QMPUSGVPOGCEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-23-14-7-3-12(4-8-14)17(22)21-16-11-19-18(25-16)20-13-5-9-15(24-2)10-6-13/h3-11H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide?
4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide has a molecular weight of 355.42 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 87521287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).