4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole

C17H14ClNOS — CID 43322647

IUPAC4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
SMILESClCc1csc(-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C17H14ClNOS/c18-10-15-12-21-17(19-15)14-6-8-16(9-7-14)20-11-13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKeyWIZTXBBFECPEPU-UHFFFAOYSA-N
MW315.83 g/mol
LogP5.13
Rot. Bonds5

About 4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole

4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole (PubChem CID 43322647) has the molecular formula C17H14ClNOS and a molecular weight of 315.83 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
PubChem CID43322647
Molecular FormulaC17H14ClNOS
Molecular Weight315.83 g/mol
Exact Mass315.05
IUPAC Name4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
SMILESClCc1csc(-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C17H14ClNOS/c18-10-15-12-21-17(19-15)14-6-8-16(9-7-14)20-11-13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKeyWIZTXBBFECPEPU-UHFFFAOYSA-N
XLogP5.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.83
LogP ≤ 55.13
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

2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 62922890
2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745304
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884558
1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol
CID 18956566
2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20992073
4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole
CID 4031287
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]-1,3-thiazole
CID 43320206
[5-(4-phenylmethoxyphenyl)-1,2-oxazol-3-yl]methanethiol
CID 165479755
2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980528
3-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]butanoic acid
CID 70842823

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole (CID 43322647) is 4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole is ClCc1csc(-c2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole?
The InChIKey is WIZTXBBFECPEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNOS/c18-10-15-12-21-17(19-15)14-6-8-16(9-7-14)20-11-13-4-2-1-3-5-13/h1-9,12H,10-11H2.
What are the key properties of 4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole?
4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole has a molecular weight of 315.83 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 43322647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).