4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole

C14H16ClNOS — CID 43320242

IUPAC4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole
SMILESCC(OCCc1nc(CCl)cs1)c1ccccc1
InChIInChI=1S/C14H16ClNOS/c1-11(12-5-3-2-4-6-12)17-8-7-14-16-13(9-15)10-18-14/h2-6,10-11H,7-9H2,1H3
InChIKeyZKJOWTYVNWVBOT-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.20
Rot. Bonds6

About 4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole

4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole (PubChem CID 43320242) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole
PubChem CID43320242
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole
SMILESCC(OCCc1nc(CCl)cs1)c1ccccc1
InChIInChI=1S/C14H16ClNOS/c1-11(12-5-3-2-4-6-12)17-8-7-14-16-13(9-15)10-18-14/h2-6,10-11H,7-9H2,1H3
InChIKeyZKJOWTYVNWVBOT-UHFFFAOYSA-N
XLogP4.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.20
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-ethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111402989
4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole
CID 43138224
4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole
CID 43138174
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111832995
2-[2-(1-bromonaphthalen-2-yl)oxyethyl]-4-(chloromethyl)-1,3-thiazole
CID 63549535
2-[3-(4-butan-2-ylphenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 107667094
1-(chloromethoxy)ethylbenzene
CID 13140582
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-bis(2-methoxyethyl)propan-1-amine
CID 61418492
N-benzyl-3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylpropan-1-amine
CID 43320380
4-(chloromethyl)-2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole
CID 43138117
N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-3-methoxy-N-methylpropan-1-amine
CID 63009656
4-(chloromethyl)-2-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-thiazole
CID 43169736

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole (CID 43320242) is 4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole is CC(OCCc1nc(CCl)cs1)c1ccccc1.
What is the InChIKey of 4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole?
The InChIKey is ZKJOWTYVNWVBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-11(12-5-3-2-4-6-12)17-8-7-14-16-13(9-15)10-18-14/h2-6,10-11H,7-9H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole has a molecular weight of 281.81 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 43320242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).