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

C20H19N3O3S — CID 53377426

IUPAC3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCCC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(OC)c3)n2)cc1
InChIInChI=1S/C20H19N3O3S/c1-3-18(24)21-15-9-7-13(8-10-15)17-12-27-20(22-17)23-19(25)14-5-4-6-16(11-14)26-2/h4-12H,3H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyQWLRDRKBPXFEEC-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.42
Rot. Bonds6

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

3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 53377426) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide
PubChem CID53377426
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCCC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(OC)c3)n2)cc1
InChIInChI=1S/C20H19N3O3S/c1-3-18(24)21-15-9-7-13(8-10-15)17-12-27-20(22-17)23-19(25)14-5-4-6-16(11-14)26-2/h4-12H,3H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyQWLRDRKBPXFEEC-UHFFFAOYSA-N
XLogP4.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(4-methylthiazol-2-yl)benzamide
CID 2679292
3,5-Dimethoxy-N-(4-(1-(2-methoxyacetyl)indolin-5-yl)thiazol-2-yl)benzamide
CID 53377439
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
4-{[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 24776309
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](3-Methoxyphenyl)methanone
CID 44250180
N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 892238
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
2-(3-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2796264
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide (CID 53377426) is 3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide is CCC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(OC)c3)n2)cc1.
What is the InChIKey of 3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is QWLRDRKBPXFEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-3-18(24)21-15-9-7-13(8-10-15)17-12-27-20(22-17)23-19(25)14-5-4-6-16(11-14)26-2/h4-12H,3H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide?
3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 381.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 53377426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).