2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline

C23H31NSSi — CID 139252450

IUPAC2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline
SMILESCC(C)[Si](Nc1ccccc1-c1csc2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C23H31NSSi/c1-16(2)26(17(3)4,18(5)6)24-22-13-9-7-11-19(22)21-15-25-23-14-10-8-12-20(21)23/h7-18,24H,1-6H3
InChIKeyVBUXRGGQPJWSHV-UHFFFAOYSA-N
MW381.66 g/mol
LogP8.16
Rot. Bonds6

About 2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline

2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline (PubChem CID 139252450) has the molecular formula C23H31NSSi and a molecular weight of 381.66 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline
PubChem CID139252450
Molecular FormulaC23H31NSSi
Molecular Weight381.66 g/mol
Exact Mass381.19
IUPAC Name2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline
SMILESCC(C)[Si](Nc1ccccc1-c1csc2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C23H31NSSi/c1-16(2)26(17(3)4,18(5)6)24-22-13-9-7-11-19(22)21-15-25-23-14-10-8-12-20(21)23/h7-18,24H,1-6H3
InChIKeyVBUXRGGQPJWSHV-UHFFFAOYSA-N
XLogP8.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.66
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromophenyl)-1-benzothiophene
CID 134529579
3-(2-methoxyphenyl)-1-benzothiophene
CID 3358919
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64542695
3-(propan-2-ylamino)thiochromen-4-one
CID 53016923
3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole
CID 142092132
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 55108350
6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine
CID 116823236
6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine
CID 116823524
4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine
CID 68946010
2-[5-(1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102006
2-(1-benzothiophen-3-yl)-1-methylpyrrole
CID 134861873
3-(1-benzothiophen-3-yl)-1-benzofuran
CID 90722056

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline (CID 139252450) is 2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline is CC(C)[Si](Nc1ccccc1-c1csc2ccccc12)(C(C)C)C(C)C.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline?
The InChIKey is VBUXRGGQPJWSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NSSi/c1-16(2)26(17(3)4,18(5)6)24-22-13-9-7-11-19(22)21-15-25-23-14-10-8-12-20(21)23/h7-18,24H,1-6H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline?
2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline has a molecular weight of 381.66 g/mol, XLogP of 8.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline is sourced from PubChem (CID 139252450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).