4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C16H20N2O3S — CID 9101240

IUPAC4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCCCCOc1ccc(C(=O)/N=c2/sccn2C)cc1OC
InChIInChI=1S/C16H20N2O3S/c1-4-5-9-21-13-7-6-12(11-14(13)20-3)15(19)17-16-18(2)8-10-22-16/h6-8,10-11H,4-5,9H2,1-3H3/b17-16+
InChIKeyPSHYMURMLWEXGW-WUKNDPDISA-N
MW320.41 g/mol
LogP3.02
Rot. Bonds6

About 4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 9101240) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID9101240
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCCCCOc1ccc(C(=O)/N=c2/sccn2C)cc1OC
InChIInChI=1S/C16H20N2O3S/c1-4-5-9-21-13-7-6-12(11-14(13)20-3)15(19)17-16-18(2)8-10-22-16/h6-8,10-11H,4-5,9H2,1-3H3/b17-16+
InChIKeyPSHYMURMLWEXGW-WUKNDPDISA-N
XLogP3.02
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(3-methyl-2-thiazolylidene)benzamide
CID 2082412
N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide
CID 2552807
3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 4858821
N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide
CID 771169
Ethyl 3,4-dimethyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-thiazole-5-carboxylate
CID 2326307
(3,4-diethoxyphenyl)(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 3235834
ethyl (2Z)-2-[(3,4-dimethoxybenzoyl)imino]-3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate
CID 3240209
4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-2-thiazolylidene)benzamide
CID 24686093
4-methoxy-N-[3-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-ylidene]benzamide
CID 73669856
3,4,5-trimethoxy-N-[3-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-ylidene]benzamide
CID 73670025
(3,4-dimethoxyphenyl)(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 3241983
(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3,4,5-triethoxyphenyl)methanone
CID 3238906

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 9101240) is 4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is CCCCOc1ccc(C(=O)/N=c2/sccn2C)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is PSHYMURMLWEXGW-WUKNDPDISA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-5-9-21-13-7-6-12(11-14(13)20-3)15(19)17-16-18(2)8-10-22-16/h6-8,10-11H,4-5,9H2,1-3H3/b17-16+.
What are the key properties of 4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 320.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 9101240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).