4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole

C11H19NOS — CID 116734676

IUPAC4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole
SMILESCCC(C)c1csc(C(CC)OC)n1
InChIInChI=1S/C11H19NOS/c1-5-8(3)9-7-14-11(12-9)10(6-2)13-4/h7-8,10H,5-6H2,1-4H3
InChIKeyBPXCPEQMUWGHQI-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.75
Rot. Bonds5

About 4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole

4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole (PubChem CID 116734676) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole
PubChem CID116734676
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole
SMILESCCC(C)c1csc(C(CC)OC)n1
InChIInChI=1S/C11H19NOS/c1-5-8(3)9-7-14-11(12-9)10(6-2)13-4/h7-8,10H,5-6H2,1-4H3
InChIKeyBPXCPEQMUWGHQI-UHFFFAOYSA-N
XLogP3.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734667
4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116705379
1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116727809
2-(3-methylheptan-4-yl)-4-propan-2-yl-1,3-thiazole
CID 123588816
2-(1-methoxybutyl)-4-propyl-1,3-thiazole
CID 116734629
4-butan-2-yl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 112697822
4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole
CID 113253756
2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid
CID 104527038
4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine
CID 62941631
N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 62544276
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
2-ethyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 61334636

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole?
The IUPAC name of 4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole (CID 116734676) is 4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole.
What is the SMILES notation for 4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole?
The canonical SMILES for 4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole is CCC(C)c1csc(C(CC)OC)n1.
What is the InChIKey of 4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole?
The InChIKey is BPXCPEQMUWGHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-5-8(3)9-7-14-11(12-9)10(6-2)13-4/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole?
4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole has a molecular weight of 213.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole is sourced from PubChem (CID 116734676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).