(6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone

C15H12BrNOS — CID 65237633

IUPAC(6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3cc(Br)ccc23)sc1C
InChIInChI=1S/C15H12BrNOS/c1-8-5-14(19-9(8)2)15(18)12-7-17-13-6-10(16)3-4-11(12)13/h3-7,17H,1-2H3
InChIKeyBNXWSISWGQZGSS-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.84
Rot. Bonds2

About (6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone

(6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone (PubChem CID 65237633) has the molecular formula C15H12BrNOS and a molecular weight of 334.24 g/mol. Its IUPAC name is (6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone
PubChem CID65237633
Molecular FormulaC15H12BrNOS
Molecular Weight334.24 g/mol
Exact Mass332.98
IUPAC Name(6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3cc(Br)ccc23)sc1C
InChIInChI=1S/C15H12BrNOS/c1-8-5-14(19-9(8)2)15(18)12-7-17-13-6-10(16)3-4-11(12)13/h3-7,17H,1-2H3
InChIKeyBNXWSISWGQZGSS-UHFFFAOYSA-N
XLogP4.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone
CID 65237307
(6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone
CID 107981685
3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile
CID 107916791
(6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone
CID 62046005
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
(5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 103298347
(6-bromo-1H-indol-3-yl)-(2-bromophenyl)methanone
CID 55194674
(6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone
CID 62046001
(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096167
2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone
CID 135045023
(5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone
CID 79802966
(5-bromo-1H-indol-3-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278577

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone (CID 65237633) is (6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone is Cc1cc(C(=O)c2c[nH]c3cc(Br)ccc23)sc1C.
What is the InChIKey of (6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone?
The InChIKey is BNXWSISWGQZGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNOS/c1-8-5-14(19-9(8)2)15(18)12-7-17-13-6-10(16)3-4-11(12)13/h3-7,17H,1-2H3.
What are the key properties of (6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone?
(6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone has a molecular weight of 334.24 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 65237633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).