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

C11H19NOS — CID 116734629

IUPAC2-(1-methoxybutyl)-4-propyl-1,3-thiazole
SMILESCCCc1csc(C(CCC)OC)n1
InChIInChI=1S/C11H19NOS/c1-4-6-9-8-14-11(12-9)10(13-3)7-5-2/h8,10H,4-7H2,1-3H3
InChIKeyZNSJJBVGHLPTKY-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.58
Rot. Bonds6

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

2-(1-methoxybutyl)-4-propyl-1,3-thiazole (PubChem CID 116734629) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(1-methoxybutyl)-4-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methoxybutyl)-4-propyl-1,3-thiazole
PubChem CID116734629
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-(1-methoxybutyl)-4-propyl-1,3-thiazole
SMILESCCCc1csc(C(CCC)OC)n1
InChIInChI=1S/C11H19NOS/c1-4-6-9-8-14-11(12-9)10(13-3)7-5-2/h8,10H,4-7H2,1-3H3
InChIKeyZNSJJBVGHLPTKY-UHFFFAOYSA-N
XLogP3.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 116727506
2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
CID 116727740
2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512034
2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole
CID 55203528
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
4-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]benzoic acid
CID 116732286
4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole
CID 116734676
1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol
CID 165485806
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485545
1-[2-(1-methoxybutyl)-1,3-thiazol-5-yl]ethanone
CID 116727518

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutyl)-4-propyl-1,3-thiazole?
The IUPAC name of 2-(1-methoxybutyl)-4-propyl-1,3-thiazole (CID 116734629) is 2-(1-methoxybutyl)-4-propyl-1,3-thiazole.
What is the SMILES notation for 2-(1-methoxybutyl)-4-propyl-1,3-thiazole?
The canonical SMILES for 2-(1-methoxybutyl)-4-propyl-1,3-thiazole is CCCc1csc(C(CCC)OC)n1.
What is the InChIKey of 2-(1-methoxybutyl)-4-propyl-1,3-thiazole?
The InChIKey is ZNSJJBVGHLPTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-4-6-9-8-14-11(12-9)10(13-3)7-5-2/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-(1-methoxybutyl)-4-propyl-1,3-thiazole?
2-(1-methoxybutyl)-4-propyl-1,3-thiazole has a molecular weight of 213.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutyl)-4-propyl-1,3-thiazole is sourced from PubChem (CID 116734629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).