N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide

C17H18N2O5S2 — CID 17422003

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CC3C=CS(=O)(=O)C3)n2)c1
InChIInChI=1S/C17H18N2O5S2/c1-23-12-3-4-15(24-2)13(8-12)14-9-25-17(18-14)19-16(20)7-11-5-6-26(21,22)10-11/h3-6,8-9,11H,7,10H2,1-2H3,(H,18,19,20)
InChIKeyRCEBGVWOWLVJJI-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.71
Rot. Bonds6

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (PubChem CID 17422003) has the molecular formula C17H18N2O5S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
PubChem CID17422003
Molecular FormulaC17H18N2O5S2
Molecular Weight394.47 g/mol
Exact Mass394.07
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CC3C=CS(=O)(=O)C3)n2)c1
InChIInChI=1S/C17H18N2O5S2/c1-23-12-3-4-15(24-2)13(8-12)14-9-25-17(18-14)19-16(20)7-11-5-6-26(21,22)10-11/h3-6,8-9,11H,7,10H2,1-2H3,(H,18,19,20)
InChIKeyRCEBGVWOWLVJJI-UHFFFAOYSA-N
XLogP2.71
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 18556954
3-cyclopentyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 8873226
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24555291
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119679935
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950691
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751506
N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589382
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254533
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide
CID 38961150

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (CID 17422003) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is COc1ccc(OC)c(-c2csc(NC(=O)CC3C=CS(=O)(=O)C3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The InChIKey is RCEBGVWOWLVJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S2/c1-23-12-3-4-15(24-2)13(8-12)14-9-25-17(18-14)19-16(20)7-11-5-6-26(21,22)10-11/h3-6,8-9,11H,7,10H2,1-2H3,(H,18,19,20).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide has a molecular weight of 394.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is sourced from PubChem (CID 17422003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).