7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole

C14H18N2S — CID 67464970

IUPAC7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole
SMILESCCCCCc1nccs1.c1cc2ccc1[nH]2
InChIInChI=1S/C8H13NS.C6H5N/c1-2-3-4-5-8-9-6-7-10-8;1-2-6-4-3-5(1)7-6/h6-7H,2-5H2,1H3;1-4,7H
InChIKeyFHRZHKXBKJBCLE-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.48
Rot. Bonds4

About 7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole

7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole (PubChem CID 67464970) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole
PubChem CID67464970
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole
SMILESCCCCCc1nccs1.c1cc2ccc1[nH]2
InChIInChI=1S/C8H13NS.C6H5N/c1-2-3-4-5-8-9-6-7-10-8;1-2-6-4-3-5(1)7-6/h6-7H,2-5H2,1H3;1-4,7H
InChIKeyFHRZHKXBKJBCLE-UHFFFAOYSA-N
XLogP4.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.48
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

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CID 79823745
6-(1,3-thiazol-2-yl)hexan-2-one
CID 134309859
propane-1,1-diamine;2-propyl-1,3-thiazole
CID 67654906
N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824082
2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole
CID 12066004
2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride
CID 173396802
5-(1,3-thiazol-2-yl)pentan-2-ol
CID 79824086
2-methyl-N-[3-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 79823969
2-(3-thiophen-2-ylpropyl)-1,3-thiazole
CID 141496467
N-(1,3-thiazol-2-ylmethyl)undecan-6-amine
CID 61285231
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole?
The IUPAC name of 7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole (CID 67464970) is 7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole.
What is the SMILES notation for 7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole?
The canonical SMILES for 7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole is CCCCCc1nccs1.c1cc2ccc1[nH]2.
What is the InChIKey of 7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole?
The InChIKey is FHRZHKXBKJBCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS.C6H5N/c1-2-3-4-5-8-9-6-7-10-8;1-2-6-4-3-5(1)7-6/h6-7H,2-5H2,1H3;1-4,7H.
What are the key properties of 7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole?
7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole has a molecular weight of 246.38 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole is sourced from PubChem (CID 67464970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).