3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide

C15H17N3O3S — CID 17226207

IUPAC3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESCOc1cccc(C(=O)NCCC(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C15H17N3O3S/c1-10-9-22-15(17-10)18-13(19)6-7-16-14(20)11-4-3-5-12(8-11)21-2/h3-5,8-9H,6-7H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyFOYVLENJPJNXDP-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.22
Rot. Bonds6

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

3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide (PubChem CID 17226207) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
PubChem CID17226207
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESCOc1cccc(C(=O)NCCC(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C15H17N3O3S/c1-10-9-22-15(17-10)18-13(19)6-7-16-14(20)11-4-3-5-12(8-11)21-2/h3-5,8-9H,6-7H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyFOYVLENJPJNXDP-UHFFFAOYSA-N
XLogP2.22
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-[(3-methoxybenzoyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17226273
3-methoxy-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912879
3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
CID 17226091
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226248
3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 5009561
N-[3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226238
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134838
3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 141421075
N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226080
3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 17226256
N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589382

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide (CID 17226207) is 3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide is COc1cccc(C(=O)NCCC(=O)Nc2nc(C)cs2)c1.
What is the InChIKey of 3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is FOYVLENJPJNXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-9-22-15(17-10)18-13(19)6-7-16-14(20)11-4-3-5-12(8-11)21-2/h3-5,8-9H,6-7H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of 3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 319.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 17226207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).