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

C17H14ClNOS — CID 62922890

IUPAC2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
SMILESClCc1nc(-c2ccc(OCc3ccccc3)cc2)cs1
InChIInChI=1S/C17H14ClNOS/c18-10-17-19-16(12-21-17)14-6-8-15(9-7-14)20-11-13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKeyDUXCGYIQZWPPMJ-UHFFFAOYSA-N
MW315.83 g/mol
LogP5.13
Rot. Bonds5

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

2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole (PubChem CID 62922890) has the molecular formula C17H14ClNOS and a molecular weight of 315.83 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
PubChem CID62922890
Molecular FormulaC17H14ClNOS
Molecular Weight315.83 g/mol
Exact Mass315.05
IUPAC Name2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
SMILESClCc1nc(-c2ccc(OCc3ccccc3)cc2)cs1
InChIInChI=1S/C17H14ClNOS/c18-10-17-19-16(12-21-17)14-6-8-15(9-7-14)20-11-13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKeyDUXCGYIQZWPPMJ-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-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 43322647
[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 4984676
4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole
CID 4031287
4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 113229452
[4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 3932194
2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole
CID 14152289
2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole
CID 62923597
3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 58629361
2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole
CID 166360122
4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine
CID 4585301
4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine
CID 3100458

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole (CID 62922890) is 2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole is ClCc1nc(-c2ccc(OCc3ccccc3)cc2)cs1.
What is the InChIKey of 2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole?
The InChIKey is DUXCGYIQZWPPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNOS/c18-10-17-19-16(12-21-17)14-6-8-15(9-7-14)20-11-13-4-2-1-3-5-13/h1-9,12H,10-11H2.
What are the key properties of 2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole?
2-(chloromethyl)-4-(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 2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 62922890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).