N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

C19H17N3O5S — CID 55976415

IUPACN-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(-c2csc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)n2)c(C)o1
InChIInChI=1S/C19H17N3O5S/c1-10-5-13(11(2)27-10)14-8-28-19(21-14)22-17(23)7-20-18(24)12-3-4-15-16(6-12)26-9-25-15/h3-6,8H,7,9H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyRNEJMLHVGZCRRP-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.12
Rot. Bonds5

About N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 55976415) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID55976415
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC NameN-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(-c2csc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)n2)c(C)o1
InChIInChI=1S/C19H17N3O5S/c1-10-5-13(11(2)27-10)14-8-28-19(21-14)22-17(23)7-20-18(24)12-3-4-15-16(6-12)26-9-25-15/h3-6,8H,7,9H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyRNEJMLHVGZCRRP-UHFFFAOYSA-N
XLogP3.12
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1292865
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]acetamide
CID 47066446
N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55921614
N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 24550817
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1222040
N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18145771
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 55922780
2-(4-acetylphenoxy)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 17430597
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 18198225
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5219831
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17394593
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46651089

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 55976415) is N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is Cc1cc(-c2csc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)n2)c(C)o1.
What is the InChIKey of N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is RNEJMLHVGZCRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-10-5-13(11(2)27-10)14-8-28-19(21-14)22-17(23)7-20-18(24)12-3-4-15-16(6-12)26-9-25-15/h3-6,8H,7,9H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 55976415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).