1H-indol-3-yl-(3-methylthiophen-2-yl)methanone

C14H11NOS — CID 43463190

IUPAC1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H11NOS/c1-9-6-7-17-14(9)13(16)11-8-15-12-5-3-2-4-10(11)12/h2-8,15H,1H3
InChIKeyTVTJEEGWTLVBDE-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.77
Rot. Bonds2

About 1H-indol-3-yl-(3-methylthiophen-2-yl)methanone

1H-indol-3-yl-(3-methylthiophen-2-yl)methanone (PubChem CID 43463190) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 1H-indol-3-yl-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
PubChem CID43463190
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H11NOS/c1-9-6-7-17-14(9)13(16)11-8-15-12-5-3-2-4-10(11)12/h2-8,15H,1H3
InChIKeyTVTJEEGWTLVBDE-UHFFFAOYSA-N
XLogP3.77
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81127045
(5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 80643241
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541
(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 83163405
(4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone
CID 79596882
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
1H-indol-3-yl-(3-methylfuran-2-yl)methanone
CID 43463194
(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 63796678
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804430
2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride
CID 156505409
1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 156795885
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(3-methylthiophen-2-yl)methanone?
The IUPAC name of 1H-indol-3-yl-(3-methylthiophen-2-yl)methanone (CID 43463190) is 1H-indol-3-yl-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for 1H-indol-3-yl-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl-(3-methylthiophen-2-yl)methanone?
The InChIKey is TVTJEEGWTLVBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-9-6-7-17-14(9)13(16)11-8-15-12-5-3-2-4-10(11)12/h2-8,15H,1H3.
What are the key properties of 1H-indol-3-yl-(3-methylthiophen-2-yl)methanone?
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone has a molecular weight of 241.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 43463190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).