4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole

C15H18ClNOS — CID 116744336

IUPAC4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole
SMILESCCOC(c1ccccc1)c1nc(CCCCl)cs1
InChIInChI=1S/C15H18ClNOS/c1-2-18-14(12-7-4-3-5-8-12)15-17-13(11-19-15)9-6-10-16/h3-5,7-8,11,14H,2,6,9-10H2,1H3
InChIKeyMUHBSCOHQXXFKJ-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.44
Rot. Bonds7

About 4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole

4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole (PubChem CID 116744336) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole
PubChem CID116744336
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole
SMILESCCOC(c1ccccc1)c1nc(CCCCl)cs1
InChIInChI=1S/C15H18ClNOS/c1-2-18-14(12-7-4-3-5-8-12)15-17-13(11-19-15)9-6-10-16/h3-5,7-8,11,14H,2,6,9-10H2,1H3
InChIKeyMUHBSCOHQXXFKJ-UHFFFAOYSA-N
XLogP4.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.44
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

methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 116744555
1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine
CID 116774603
2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116744578
4-(chloromethyl)-2-[ethoxy(phenyl)methyl]pyrimidine
CID 116779042
4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine
CID 121010363
N-[[2-[methoxy(phenyl)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774770
2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991
4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole
CID 75372528
[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
CID 116778455
CID 56851104
CID 56851104
4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
CID 116705113
N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774375

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole (CID 116744336) is 4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole is CCOC(c1ccccc1)c1nc(CCCCl)cs1.
What is the InChIKey of 4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole?
The InChIKey is MUHBSCOHQXXFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-2-18-14(12-7-4-3-5-8-12)15-17-13(11-19-15)9-6-10-16/h3-5,7-8,11,14H,2,6,9-10H2,1H3.
What are the key properties of 4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole?
4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole has a molecular weight of 295.83 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 116744336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).