2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile

C14H10N2S — CID 172702505

IUPAC2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile
SMILESCc1ccsc1-c1[nH]c2ccccc2c1C#N
InChIInChI=1S/C14H10N2S/c1-9-6-7-17-14(9)13-11(8-15)10-4-2-3-5-12(10)16-13/h2-7,16H,1H3
InChIKeyDDNSZBHUXNXXCM-UHFFFAOYSA-N
MW238.31 g/mol
LogP4.08
Rot. Bonds1

About 2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile

2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile (PubChem CID 172702505) has the molecular formula C14H10N2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile
PubChem CID172702505
Molecular FormulaC14H10N2S
Molecular Weight238.31 g/mol
Exact Mass238.06
IUPAC Name2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile
SMILESCc1ccsc1-c1[nH]c2ccccc2c1C#N
InChIInChI=1S/C14H10N2S/c1-9-6-7-17-14(9)13-11(8-15)10-4-2-3-5-12(10)16-13/h2-7,16H,1H3
InChIKeyDDNSZBHUXNXXCM-UHFFFAOYSA-N
XLogP4.08
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile?
The IUPAC name of 2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile (CID 172702505) is 2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile is Cc1ccsc1-c1[nH]c2ccccc2c1C#N.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile?
The InChIKey is DDNSZBHUXNXXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S/c1-9-6-7-17-14(9)13-11(8-15)10-4-2-3-5-12(10)16-13/h2-7,16H,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile?
2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile has a molecular weight of 238.31 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile is sourced from PubChem (CID 172702505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).