2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone

C17H13N3O4S — CID 37159430

IUPAC2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1csc(-c2ccco2)n1)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C17H13N3O4S/c21-16(8-12-10-25-17(18-12)15-2-1-7-24-15)19-6-5-11-3-4-13(20(22)23)9-14(11)19/h1-4,7,9-10H,5-6,8H2
InChIKeyRSGSDKXASWAJDO-UHFFFAOYSA-N
MW355.38 g/mol
LogP3.44
Rot. Bonds4

About 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 37159430) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
PubChem CID37159430
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1csc(-c2ccco2)n1)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C17H13N3O4S/c21-16(8-12-10-25-17(18-12)15-2-1-7-24-15)19-6-5-11-3-4-13(20(22)23)9-14(11)19/h1-4,7,9-10H,5-6,8H2
InChIKeyRSGSDKXASWAJDO-UHFFFAOYSA-N
XLogP3.44
TPSA89.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 55607817
1-(6-nitro-2,3-dihydroindol-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 37160835
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 55483309
furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110287360
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37161899
2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 17439636
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
(E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 37163716
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
CID 30748123
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43066815
1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 55483874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone (CID 37159430) is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone is O=C(Cc1csc(-c2ccco2)n1)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is RSGSDKXASWAJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c21-16(8-12-10-25-17(18-12)15-2-1-7-24-15)19-6-5-11-3-4-13(20(22)23)9-14(11)19/h1-4,7,9-10H,5-6,8H2.
What are the key properties of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 355.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 37159430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).