5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C19H18N2O4S2 — CID 8941390

IUPAC5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc2c1OCCO2
InChIInChI=1S/C19H18N2O4S2/c1-11-21-14(10-26-11)17-4-3-13(27-17)9-20-19(22)12-7-15(23-2)18-16(8-12)24-5-6-25-18/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,20,22)
InChIKeyDLWIOTJNWNPUIX-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.89
Rot. Bonds5

About 5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 8941390) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID8941390
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC Name5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc2c1OCCO2
InChIInChI=1S/C19H18N2O4S2/c1-11-21-14(10-26-11)17-4-3-13(27-17)9-20-19(22)12-7-15(23-2)18-16(8-12)24-5-6-25-18/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,20,22)
InChIKeyDLWIOTJNWNPUIX-UHFFFAOYSA-N
XLogP3.89
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 24516217
2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 40707333
3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940413
2,4-dimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940470
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 33218960
3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488570
N-benzyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777041
2-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941562
N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 24550817
3-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488005
4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940458
N-[2-(ethylamino)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
CID 119509241

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 8941390) is 5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc2c1OCCO2.
What is the InChIKey of 5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is DLWIOTJNWNPUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-11-21-14(10-26-11)17-4-3-13(27-17)9-20-19(22)12-7-15(23-2)18-16(8-12)24-5-6-25-18/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,20,22).
What are the key properties of 5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 8941390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).