2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate

C18H12Cl2NO3S- — CID 7745333

IUPAC2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccc(COc3cc(Cl)ccc3Cl)cc2)sc1C(=O)[O-]
InChIInChI=1S/C18H13Cl2NO3S/c1-10-16(18(22)23)25-17(21-10)12-4-2-11(3-5-12)9-24-15-8-13(19)6-7-14(15)20/h2-8H,9H2,1H3,(H,22,23)/p-1
InChIKeyIAZMNKQGAGMINN-UHFFFAOYSA-M
MW393.27 g/mol
LogP4.37
Rot. Bonds5

About 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate

2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 7745333) has the molecular formula C18H12Cl2NO3S- and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID7745333
Molecular FormulaC18H12Cl2NO3S-
Molecular Weight393.27 g/mol
Exact Mass391.99
IUPAC Name2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccc(COc3cc(Cl)ccc3Cl)cc2)sc1C(=O)[O-]
InChIInChI=1S/C18H13Cl2NO3S/c1-10-16(18(22)23)25-17(21-10)12-4-2-11(3-5-12)9-24-15-8-13(19)6-7-14(15)20/h2-8H,9H2,1H3,(H,22,23)/p-1
InChIKeyIAZMNKQGAGMINN-UHFFFAOYSA-M
XLogP4.37
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7895987
4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7745349
2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745227
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745206
2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 7895978
4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7745336
4-methyl-2-[4-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7895985
4-methyl-2-[4-[(2,3,5-trimethylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylic acid
CID 4980614
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24948936
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate (CID 7745333) is 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccc(COc3cc(Cl)ccc3Cl)cc2)sc1C(=O)[O-].
What is the InChIKey of 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is IAZMNKQGAGMINN-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13Cl2NO3S/c1-10-16(18(22)23)25-17(21-10)12-4-2-11(3-5-12)9-24-15-8-13(19)6-7-14(15)20/h2-8H,9H2,1H3,(H,22,23)/p-1.
What are the key properties of 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate?
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 393.27 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7745333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).