2-butoxy-1,3-thiazole;propane

C10H19NOS — CID 143891119

IUPAC2-butoxy-1,3-thiazole;propane
SMILESCCC.CCCCOc1nccs1
InChIInChI=1S/C7H11NOS.C3H8/c1-2-3-5-9-7-8-4-6-10-7;1-3-2/h4,6H,2-3,5H2,1H3;3H2,1-2H3
InChIKeyZSIAMAAOSJOBJX-UHFFFAOYSA-N
MW201.34 g/mol
LogP3.74
Rot. Bonds4

About 2-butoxy-1,3-thiazole;propane

2-butoxy-1,3-thiazole;propane (PubChem CID 143891119) has the molecular formula C10H19NOS and a molecular weight of 201.34 g/mol. Its IUPAC name is 2-butoxy-1,3-thiazole;propane.

Molecular Properties

Compound Name2-butoxy-1,3-thiazole;propane
PubChem CID143891119
Molecular FormulaC10H19NOS
Molecular Weight201.34 g/mol
Exact Mass201.12
IUPAC Name2-butoxy-1,3-thiazole;propane
SMILESCCC.CCCCOc1nccs1
InChIInChI=1S/C7H11NOS.C3H8/c1-2-3-5-9-7-8-4-6-10-7;1-3-2/h4,6H,2-3,5H2,1H3;3H2,1-2H3
InChIKeyZSIAMAAOSJOBJX-UHFFFAOYSA-N
XLogP3.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 53.74
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-propoxyphenoxy)-1,3-thiazole
CID 175814412
3-octadecoxy-2-(1,3-thiazol-2-yloxy)propan-1-ol
CID 19986116
butyl(1,3-thiazol-2-yl)stannane
CID 87989261
N-butyl-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813695
N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine
CID 114783181
1-O-ethyl 3-O-(1,3-thiazol-2-yl) propanedioate
CID 174640375
5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate
CID 70426557
ethane;2-methyl-1,3-thiazole;propane
CID 143558084
2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole
CID 139682098
2-bromo-3-butoxythiophene
CID 90107659
2-(1-propylazetidin-3-yl)oxy-1,3-thiazole
CID 170950687
1,3-thiazol-2-yl N-ethyl-N-methylcarbamate
CID 174620445

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,3-thiazole;propane?
The IUPAC name of 2-butoxy-1,3-thiazole;propane (CID 143891119) is 2-butoxy-1,3-thiazole;propane.
What is the SMILES notation for 2-butoxy-1,3-thiazole;propane?
The canonical SMILES for 2-butoxy-1,3-thiazole;propane is CCC.CCCCOc1nccs1.
What is the InChIKey of 2-butoxy-1,3-thiazole;propane?
The InChIKey is ZSIAMAAOSJOBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS.C3H8/c1-2-3-5-9-7-8-4-6-10-7;1-3-2/h4,6H,2-3,5H2,1H3;3H2,1-2H3.
What are the key properties of 2-butoxy-1,3-thiazole;propane?
2-butoxy-1,3-thiazole;propane has a molecular weight of 201.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,3-thiazole;propane is sourced from PubChem (CID 143891119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).