3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide

C19H25N3O5S — CID 93306496

IUPAC3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide
SMILESCOCCNC(=O)[C@@H](C)n1cc(C)s/c1=N\C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H25N3O5S/c1-12-11-22(13(2)17(23)20-8-9-25-3)19(28-12)21-18(24)14-6-7-15(26-4)16(10-14)27-5/h6-7,10-11,13H,8-9H2,1-5H3,(H,20,23)/b21-19-/t13-/m1/s1
InChIKeyYTQMXTJCYOHBAJ-IUXHBZJFSA-N
MW407.49 g/mol
LogP1.94
Rot. Bonds8

About 3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide

3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide (PubChem CID 93306496) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide
PubChem CID93306496
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide
SMILESCOCCNC(=O)[C@@H](C)n1cc(C)s/c1=N\C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H25N3O5S/c1-12-11-22(13(2)17(23)20-8-9-25-3)19(28-12)21-18(24)14-6-7-15(26-4)16(10-14)27-5/h6-7,10-11,13H,8-9H2,1-5H3,(H,20,23)/b21-19-/t13-/m1/s1
InChIKeyYTQMXTJCYOHBAJ-IUXHBZJFSA-N
XLogP1.94
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide
CID 93305866
methyl 2-[6-bromo-2-(3,4-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4080596
3,4-dimethoxy-N-[5-methyl-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 51067347
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
2-chloro-N-[5-methyl-3-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,3-thiazol-2-ylidene]benzamide
CID 93305815
3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3474147
N-[4,5-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4-dimethoxybenzamide
CID 40886481
methyl 2-[2-(3,4-dimethoxybenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate
CID 40997239
N-[3-(2-ethoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-3,4-dimethoxybenzamide
CID 40697688
N-(1-bromo-4-methylpentan-2-yl)-3,4-dimethoxybenzamide
CID 114311669
3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 1021951
1-(3,4-dimethoxyphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7965296

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide (CID 93306496) is 3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide is COCCNC(=O)[C@@H](C)n1cc(C)s/c1=N\C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is YTQMXTJCYOHBAJ-IUXHBZJFSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-12-11-22(13(2)17(23)20-8-9-25-3)19(28-12)21-18(24)14-6-7-15(26-4)16(10-14)27-5/h6-7,10-11,13H,8-9H2,1-5H3,(H,20,23)/b21-19-/t13-/m1/s1.
What are the key properties of 3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide?
3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 407.49 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-methyl-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 93306496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).