(5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone

C14H10BrNOS — CID 79802966

IUPAC(5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H10BrNOS/c1-8-6-18-7-12(8)14(17)11-5-16-13-3-2-9(15)4-10(11)13/h2-7,16H,1H3
InChIKeyDERCDVTXPNHTGZ-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.53
Rot. Bonds2

About (5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone

(5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone (PubChem CID 79802966) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone
PubChem CID79802966
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name(5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H10BrNOS/c1-8-6-18-7-12(8)14(17)11-5-16-13-3-2-9(15)4-10(11)13/h2-7,16H,1H3
InChIKeyDERCDVTXPNHTGZ-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

1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
(4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626646
(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514797
(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368763
2-(5-bromo-1H-indole-3-carbonyl)benzoic acid
CID 43329854
(5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
CID 63798607
(5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 81324072
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
1-(5-bromo-1H-indol-3-yl)prop-2-en-1-one
CID 103522496
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156
(5-bromo-1H-indol-3-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278577

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone?
The IUPAC name of (5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone (CID 79802966) is (5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone is Cc1cscc1C(=O)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone?
The InChIKey is DERCDVTXPNHTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c1-8-6-18-7-12(8)14(17)11-5-16-13-3-2-9(15)4-10(11)13/h2-7,16H,1H3.
What are the key properties of (5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone?
(5-bromo-1H-indol-3-yl)-(4-methylthiophen-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-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone is sourced from PubChem (CID 79802966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).