(5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone

C14H10BrNOS — CID 114021021

IUPAC(5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1csc(Br)c1
InChIInChI=1S/C14H10BrNOS/c1-8-13(10-4-2-3-5-11(10)16-8)14(17)9-6-12(15)18-7-9/h2-7,16H,1H3
InChIKeyXGHZKUVRKABHHS-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.53
Rot. Bonds2

About (5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone

(5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 114021021) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
PubChem CID114021021
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name(5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1csc(Br)c1
InChIInChI=1S/C14H10BrNOS/c1-8-13(10-4-2-3-5-11(10)16-8)14(17)9-6-12(15)18-7-9/h2-7,16H,1H3
InChIKeyXGHZKUVRKABHHS-UHFFFAOYSA-N
XLogP4.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 107949694
(5-bromofuran-2-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 43463185
(2-methyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339223
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433
CID 170645728
CID 170645728
4-(2-methyl-1H-indole-3-carbonyl)benzonitrile
CID 10422724
(4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 175114331
(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339192
anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone
CID 10065533
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
(E)-4-(2-methyl-1H-indol-3-yl)pent-3-en-2-one
CID 66575320

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone (CID 114021021) is (5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone is Cc1[nH]c2ccccc2c1C(=O)c1csc(Br)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is XGHZKUVRKABHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c1-8-13(10-4-2-3-5-11(10)16-8)14(17)9-6-12(15)18-7-9/h2-7,16H,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone?
(5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 320.21 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 114021021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).