5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile

C14H10N2S2 — CID 79613916

IUPAC5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNc2ccc3sccc3c2)c1
InChIInChI=1S/C14H10N2S2/c15-7-10-5-13(18-9-10)8-16-12-1-2-14-11(6-12)3-4-17-14/h1-6,9,16H,8H2
InChIKeyCXXACPLVRLZUFS-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.45
Rot. Bonds3

About 5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile

5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile (PubChem CID 79613916) has the molecular formula C14H10N2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile
PubChem CID79613916
Molecular FormulaC14H10N2S2
Molecular Weight270.38 g/mol
Exact Mass270.03
IUPAC Name5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNc2ccc3sccc3c2)c1
InChIInChI=1S/C14H10N2S2/c15-7-10-5-13(18-9-10)8-16-12-1-2-14-11(6-12)3-4-17-14/h1-6,9,16H,8H2
InChIKeyCXXACPLVRLZUFS-UHFFFAOYSA-N
XLogP4.45
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile (CID 79613916) is 5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile is N#Cc1csc(CNc2ccc3sccc3c2)c1.
What is the InChIKey of 5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile?
The InChIKey is CXXACPLVRLZUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S2/c15-7-10-5-13(18-9-10)8-16-12-1-2-14-11(6-12)3-4-17-14/h1-6,9,16H,8H2.
What are the key properties of 5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile?
5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzothiophen-5-ylamino)methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79613916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).