2-(4-methoxybutyl)-1,3-thiazole

C8H13NOS — CID 67274704

IUPAC2-(4-methoxybutyl)-1,3-thiazole
SMILESCOCCCCc1nccs1
InChIInChI=1S/C8H13NOS/c1-10-6-3-2-4-8-9-5-7-11-8/h5,7H,2-4,6H2,1H3
InChIKeyBVUAKCYOLMBRJY-UHFFFAOYSA-N
MW171.27 g/mol
LogP2.11
Rot. Bonds5

About 2-(4-methoxybutyl)-1,3-thiazole

2-(4-methoxybutyl)-1,3-thiazole (PubChem CID 67274704) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 2-(4-methoxybutyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxybutyl)-1,3-thiazole
PubChem CID67274704
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name2-(4-methoxybutyl)-1,3-thiazole
SMILESCOCCCCc1nccs1
InChIInChI=1S/C8H13NOS/c1-10-6-3-2-4-8-9-5-7-11-8/h5,7H,2-4,6H2,1H3
InChIKeyBVUAKCYOLMBRJY-UHFFFAOYSA-N
XLogP2.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Butylthiazole
CID 3015925
2-Pentylthiazole
CID 22150015
4-(1,3-Thiazol-2-yl)butan-1-ol
CID 57033000
2-Butoxy-1,3-thiazole
CID 22406947
(Thiazol-2-yl)propyl methyl ether
CID 59275945
2-(Tetrahydropyran-4-yl)thiazole
CID 68285285
2-(1-Fluoropentyl)-1,3-thiazole
CID 67086803
2-(4-Fluorooxan-4-yl)-1,3-thiazole
CID 153992382
Propoxybutyl thiazolium iodide
CID 129730488
1-(1,3-Thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146959
4-(2,2-Difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-one
CID 103147287
1-(1,3-Thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103147413

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutyl)-1,3-thiazole?
The IUPAC name of 2-(4-methoxybutyl)-1,3-thiazole (CID 67274704) is 2-(4-methoxybutyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxybutyl)-1,3-thiazole?
The canonical SMILES for 2-(4-methoxybutyl)-1,3-thiazole is COCCCCc1nccs1.
What is the InChIKey of 2-(4-methoxybutyl)-1,3-thiazole?
The InChIKey is BVUAKCYOLMBRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-10-6-3-2-4-8-9-5-7-11-8/h5,7H,2-4,6H2,1H3.
What are the key properties of 2-(4-methoxybutyl)-1,3-thiazole?
2-(4-methoxybutyl)-1,3-thiazole has a molecular weight of 171.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutyl)-1,3-thiazole is sourced from PubChem (CID 67274704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).