(5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone

C14H10BrNOS — CID 107959895

IUPAC(5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)c2csc(Br)c2)c2ccccc21
InChIInChI=1S/C14H10BrNOS/c1-16-7-11(10-4-2-3-5-12(10)16)14(17)9-6-13(15)18-8-9/h2-8H,1H3
InChIKeyVLAPMGWNEZJSDY-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.23
Rot. Bonds2

About (5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone

(5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone (PubChem CID 107959895) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone
PubChem CID107959895
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name(5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)c2csc(Br)c2)c2ccccc21
InChIInChI=1S/C14H10BrNOS/c1-16-7-11(10-4-2-3-5-12(10)16)14(17)9-6-13(15)18-8-9/h2-8H,1H3
InChIKeyVLAPMGWNEZJSDY-UHFFFAOYSA-N
XLogP4.23
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960064
(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone
CID 81111128
furan-3-yl-(1-methylindol-3-yl)methanone
CID 43463454
[3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone
CID 116917320
(1-methylindol-3-yl)-quinoxalin-6-ylmethanone
CID 170857089
1-methylindole-3-carbothioic S-acid
CID 116918837
(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
CID 23544603
1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone
CID 105111002
(1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone
CID 163878841
(5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 114021021
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone (CID 107959895) is (5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)c2csc(Br)c2)c2ccccc21.
What is the InChIKey of (5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone?
The InChIKey is VLAPMGWNEZJSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c1-16-7-11(10-4-2-3-5-12(10)16)14(17)9-6-13(15)18-8-9/h2-8H,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone?
(5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone has a molecular weight of 320.21 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 107959895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).