N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide

C20H19N3O3S — CID 55976160

IUPACN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3nc(-c4cc(C)oc4C)cs3)[nH]c2c1
InChIInChI=1S/C20H19N3O3S/c1-4-25-14-6-5-13-8-17(21-16(13)9-14)19(24)23-20-22-18(10-27-20)15-7-11(2)26-12(15)3/h5-10,21H,4H2,1-3H3,(H,22,23,24)
InChIKeyWIOFRTJXBHVLNV-UHFFFAOYSA-N
MW381.46 g/mol
LogP5.15
Rot. Bonds5

About N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide (PubChem CID 55976160) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide
PubChem CID55976160
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3nc(-c4cc(C)oc4C)cs3)[nH]c2c1
InChIInChI=1S/C20H19N3O3S/c1-4-25-14-6-5-13-8-17(21-16(13)9-14)19(24)23-20-22-18(10-27-20)15-7-11(2)26-12(15)3/h5-10,21H,4H2,1-3H3,(H,22,23,24)
InChIKeyWIOFRTJXBHVLNV-UHFFFAOYSA-N
XLogP5.15
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]acetamide
CID 47066446
6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
CID 55628624
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 55922780
N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 17404838
N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 17404839
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
4-ethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008522
6-ethoxy-N-[4-methyl-2-(methylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 146089109
4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916270
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide
CID 167872786
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119300523
N-[4-(4-ethoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901625

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide (CID 55976160) is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide is CCOc1ccc2cc(C(=O)Nc3nc(-c4cc(C)oc4C)cs3)[nH]c2c1.
What is the InChIKey of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide?
The InChIKey is WIOFRTJXBHVLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-4-25-14-6-5-13-8-17(21-16(13)9-14)19(24)23-20-22-18(10-27-20)15-7-11(2)26-12(15)3/h5-10,21H,4H2,1-3H3,(H,22,23,24).
What are the key properties of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide?
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 55976160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).