2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide

C15H18N2O3S — CID 110742865

IUPAC2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2csc(C)n2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-10-17-12(9-21-10)8-16-15(18)7-11-4-5-13(19-2)14(6-11)20-3/h4-6,9H,7-8H2,1-3H3,(H,16,18)
InChIKeyMNXZJAQNASIXGO-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.33
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 110742865) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID110742865
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2csc(C)n2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-10-17-12(9-21-10)8-16-15(18)7-11-4-5-13(19-2)14(6-11)20-3/h4-6,9H,7-8H2,1-3H3,(H,16,18)
InChIKeyMNXZJAQNASIXGO-UHFFFAOYSA-N
XLogP2.33
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47290705
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
methyl 2-[2-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]phenoxy]acetate
CID 55866346
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383812
3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86855095
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332807
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110386143
3,4-dimethoxy-N-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18567997
N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333516
2-(4-methoxyphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 23612988

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (CID 110742865) is 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is COc1ccc(CC(=O)NCc2csc(C)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is MNXZJAQNASIXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-17-12(9-21-10)8-16-15(18)7-11-4-5-13(19-2)14(6-11)20-3/h4-6,9H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 110742865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).