1-(1,2-thiazol-3-yl)octylindigane

C11H20InNS — CID 173228993

IUPAC1-(1,2-thiazol-3-yl)octylindigane
SMILESCCCCCCCC([InH2])c1ccsn1
InChIInChI=1S/C11H18NS.In.2H/c1-2-3-4-5-6-7-8-11-9-10-13-12-11;;;/h8-10H,2-7H2,1H3;;;
InChIKeyUCRHPPVQDWBXIE-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.18
Rot. Bonds7

About 1-(1,2-thiazol-3-yl)octylindigane

1-(1,2-thiazol-3-yl)octylindigane (PubChem CID 173228993) has the molecular formula C11H20InNS and a molecular weight of 313.17 g/mol. Its IUPAC name is 1-(1,2-thiazol-3-yl)octylindigane.

Molecular Properties

Compound Name1-(1,2-thiazol-3-yl)octylindigane
PubChem CID173228993
Molecular FormulaC11H20InNS
Molecular Weight313.17 g/mol
Exact Mass313.04
IUPAC Name1-(1,2-thiazol-3-yl)octylindigane
SMILESCCCCCCCC([InH2])c1ccsn1
InChIInChI=1S/C11H18NS.In.2H/c1-2-3-4-5-6-7-8-11-9-10-13-12-11;;;/h8-10H,2-7H2,1H3;;;
InChIKeyUCRHPPVQDWBXIE-UHFFFAOYSA-N
XLogP3.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-undecan-5-yl-1,2-thiazole
CID 146406954
3-pentan-3-yl-1,2-thiazole
CID 170381206
3-dodecan-6-ylthiophene
CID 129156957
3-tetracosan-12-ylthiophene
CID 175257846
4-tetradecan-7-yl-1,2-thiazole
CID 155439564
4-undecan-5-yl-1,2-thiazole
CID 146406991
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
2-tetradecan-7-ylthiophene
CID 137450901
2-heptadecan-5-ylthiophene
CID 19734009
2-methyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 131020007
2-tridecan-6-ylpyridine
CID 139295924

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-3-yl)octylindigane?
The IUPAC name of 1-(1,2-thiazol-3-yl)octylindigane (CID 173228993) is 1-(1,2-thiazol-3-yl)octylindigane.
What is the SMILES notation for 1-(1,2-thiazol-3-yl)octylindigane?
The canonical SMILES for 1-(1,2-thiazol-3-yl)octylindigane is CCCCCCCC([InH2])c1ccsn1.
What is the InChIKey of 1-(1,2-thiazol-3-yl)octylindigane?
The InChIKey is UCRHPPVQDWBXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NS.In.2H/c1-2-3-4-5-6-7-8-11-9-10-13-12-11;;;/h8-10H,2-7H2,1H3;;;.
What are the key properties of 1-(1,2-thiazol-3-yl)octylindigane?
1-(1,2-thiazol-3-yl)octylindigane has a molecular weight of 313.17 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-3-yl)octylindigane is sourced from PubChem (CID 173228993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).