2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole

C16H18N2S — CID 12066004

IUPAC2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole
SMILESCCCCCc1[nH]c2ccccc2c1-c1nccs1
InChIInChI=1S/C16H18N2S/c1-2-3-4-9-14-15(16-17-10-11-19-16)12-7-5-6-8-13(12)18-14/h5-8,10-11,18H,2-4,9H2,1H3
InChIKeyREEKMQWMRDNDHP-UHFFFAOYSA-N
MW270.40 g/mol
LogP5.02
Rot. Bonds5

About 2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole

2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole (PubChem CID 12066004) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole
PubChem CID12066004
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole
SMILESCCCCCc1[nH]c2ccccc2c1-c1nccs1
InChIInChI=1S/C16H18N2S/c1-2-3-4-9-14-15(16-17-10-11-19-16)12-7-5-6-8-13(12)18-14/h5-8,10-11,18H,2-4,9H2,1H3
InChIKeyREEKMQWMRDNDHP-UHFFFAOYSA-N
XLogP5.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-2-hexyl-1H-indole
CID 86023590
2-[2-(1H-pyrazol-5-yl)-1H-indol-3-yl]-1,3-thiazole
CID 137228711
2-octyl-3-phenyl-1H-quinolin-4-one
CID 135391605
3-hydroxy-2-octyl-1H-quinolin-4-one
CID 50915414
2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol
CID 137224688
4-[5-butyl-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5145781
7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole
CID 67464970
2-bromo-3-(3,5,6-tris-decylpyrazin-2-yl)-1H-indole
CID 150677273
2-tert-butyl-3-pentyl-1H-indole
CID 121472314
2-(2-butyl-6-methoxyphenyl)-1,3-thiazole
CID 132508297
1-propyl-9H-pyrido[3,4-b]indole
CID 15381905
1-methyl-3-pentyl-2H-isoindole
CID 91004713

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole?
The IUPAC name of 2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole (CID 12066004) is 2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole is CCCCCc1[nH]c2ccccc2c1-c1nccs1.
What is the InChIKey of 2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole?
The InChIKey is REEKMQWMRDNDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-3-4-9-14-15(16-17-10-11-19-16)12-7-5-6-8-13(12)18-14/h5-8,10-11,18H,2-4,9H2,1H3.
What are the key properties of 2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole?
2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole has a molecular weight of 270.40 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole is sourced from PubChem (CID 12066004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).