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

C12H21NOS — CID 116734667

IUPAC4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole
SMILESCCOC(CC)c1nc(C(C)CC)cs1
InChIInChI=1S/C12H21NOS/c1-5-9(4)10-8-15-12(13-10)11(6-2)14-7-3/h8-9,11H,5-7H2,1-4H3
InChIKeyYZXRGFFUPFWYBO-UHFFFAOYSA-N
MW227.37 g/mol
LogP4.14
Rot. Bonds6

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

4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole (PubChem CID 116734667) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole
PubChem CID116734667
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole
SMILESCCOC(CC)c1nc(C(C)CC)cs1
InChIInChI=1S/C12H21NOS/c1-5-9(4)10-8-15-12(13-10)11(6-2)14-7-3/h8-9,11H,5-7H2,1-4H3
InChIKeyYZXRGFFUPFWYBO-UHFFFAOYSA-N
XLogP4.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole
CID 116734676
1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116727809
4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116705379
1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol
CID 64544933
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485545
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline
CID 116727349
4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734447
2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid
CID 104527038
1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 116728252
4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine
CID 62941631
2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512034

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole?
The IUPAC name of 4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole (CID 116734667) is 4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole.
What is the SMILES notation for 4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole?
The canonical SMILES for 4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole is CCOC(CC)c1nc(C(C)CC)cs1.
What is the InChIKey of 4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole?
The InChIKey is YZXRGFFUPFWYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-5-9(4)10-8-15-12(13-10)11(6-2)14-7-3/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole?
4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole has a molecular weight of 227.37 g/mol, XLogP of 4.14, 6 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-ethoxypropyl)-1,3-thiazole is sourced from PubChem (CID 116734667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).