4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole

C9H14ClNOS — CID 116705109

IUPAC4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
SMILESCCOC(C)(C)c1nc(CCl)cs1
InChIInChI=1S/C9H14ClNOS/c1-4-12-9(2,3)8-11-7(5-10)6-13-8/h6H,4-5H2,1-3H3
InChIKeyLLDYCPFMLXWVIW-UHFFFAOYSA-N
MW219.74 g/mol
LogP3.15
Rot. Bonds4

About 4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole

4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole (PubChem CID 116705109) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
PubChem CID116705109
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
SMILESCCOC(C)(C)c1nc(CCl)cs1
InChIInChI=1S/C9H14ClNOS/c1-4-12-9(2,3)8-11-7(5-10)6-13-8/h6H,4-5H2,1-3H3
InChIKeyLLDYCPFMLXWVIW-UHFFFAOYSA-N
XLogP3.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 102929371
ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485371
2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole
CID 116734587
2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine
CID 102929394
1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116727806
4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116734452
2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 102929390
4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole
CID 43138252
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774720
[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol
CID 116782415
N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline
CID 102929482
2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 116779537

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole (CID 116705109) is 4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole is CCOC(C)(C)c1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole?
The InChIKey is LLDYCPFMLXWVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNOS/c1-4-12-9(2,3)8-11-7(5-10)6-13-8/h6H,4-5H2,1-3H3.
What are the key properties of 4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole?
4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole has a molecular weight of 219.74 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 116705109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).