2-butoxy-4,5-dihydro-1,3-thiazole

C7H13NOS — CID 174476981

IUPAC2-butoxy-4,5-dihydro-1,3-thiazole
SMILESCCCCOC1=NCCS1
InChIInChI=1S/C7H13NOS/c1-2-3-5-9-7-8-4-6-10-7/h2-6H2,1H3
InChIKeyLLXHEDMKKPTCLB-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.91
Rot. Bonds3

About 2-butoxy-4,5-dihydro-1,3-thiazole

2-butoxy-4,5-dihydro-1,3-thiazole (PubChem CID 174476981) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-butoxy-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-butoxy-4,5-dihydro-1,3-thiazole
PubChem CID174476981
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name2-butoxy-4,5-dihydro-1,3-thiazole
SMILESCCCCOC1=NCCS1
InChIInChI=1S/C7H13NOS/c1-2-3-5-9-7-8-4-6-10-7/h2-6H2,1H3
InChIKeyLLXHEDMKKPTCLB-UHFFFAOYSA-N
XLogP1.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.91
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-(4,5-dihydro-1,3-thiazol-2-yloxy)ethanol
CID 174246740
2-pentoxy-4,5-dihydro-1,3-oxazole
CID 20523760
1,4-dipentoxybenzene
CID 18314717
2,3-dibutoxy-6,7,10,11-tetrakis-decoxytriphenylene
CID 86203884
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
N-(4-butylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
CID 24846776
2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110540504
1,3,5-tributoxybenzene
CID 15933337
4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
CID 18996788
4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
2,3,6,7,10-pentahexoxy-11-[7-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyheptoxy]triphenylene
CID 100981967

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-butoxy-4,5-dihydro-1,3-thiazole (CID 174476981) is 2-butoxy-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-butoxy-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-butoxy-4,5-dihydro-1,3-thiazole is CCCCOC1=NCCS1.
What is the InChIKey of 2-butoxy-4,5-dihydro-1,3-thiazole?
The InChIKey is LLXHEDMKKPTCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-2-3-5-9-7-8-4-6-10-7/h2-6H2,1H3.
What are the key properties of 2-butoxy-4,5-dihydro-1,3-thiazole?
2-butoxy-4,5-dihydro-1,3-thiazole has a molecular weight of 159.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 174476981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).