2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate

C19H14ClFNO3S- — CID 59786412

IUPAC2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate
SMILESCc1ccc(OCc2ccc(Cl)cc2F)c(Cc2nc(C(=O)[O-])cs2)c1
InChIInChI=1S/C19H15ClFNO3S/c1-11-2-5-17(25-9-12-3-4-14(20)8-15(12)21)13(6-11)7-18-22-16(10-26-18)19(23)24/h2-6,8,10H,7,9H2,1H3,(H,23,24)/p-1
InChIKeyJTLUUTDUCKPJPN-UHFFFAOYSA-M
MW390.84 g/mol
LogP3.78
Rot. Bonds6

About 2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate

2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 59786412) has the molecular formula C19H14ClFNO3S- and a molecular weight of 390.84 g/mol. Its IUPAC name is 2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate
PubChem CID59786412
Molecular FormulaC19H14ClFNO3S-
Molecular Weight390.84 g/mol
Exact Mass390.04
IUPAC Name2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate
SMILESCc1ccc(OCc2ccc(Cl)cc2F)c(Cc2nc(C(=O)[O-])cs2)c1
InChIInChI=1S/C19H15ClFNO3S/c1-11-2-5-17(25-9-12-3-4-14(20)8-15(12)21)13(6-11)7-18-22-16(10-26-18)19(23)24/h2-6,8,10H,7,9H2,1H3,(H,23,24)/p-1
InChIKeyJTLUUTDUCKPJPN-UHFFFAOYSA-M
XLogP3.78
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.84
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 59786241
ethyl 2-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786330
ethyl 2-[[5-chloro-2-[(2,4,5-trifluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786522
2-[[2-[(2,4-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 140527337
4-chloro-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 59384279
2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 59786429
2-[[2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 140527335
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylic acid
CID 11495634
2-[[2-[(2-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 140527332
sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate
CID 23678184
2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786259
methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate
CID 71024238

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate (CID 59786412) is 2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate is Cc1ccc(OCc2ccc(Cl)cc2F)c(Cc2nc(C(=O)[O-])cs2)c1.
What is the InChIKey of 2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is JTLUUTDUCKPJPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15ClFNO3S/c1-11-2-5-17(25-9-12-3-4-14(20)8-15(12)21)13(6-11)7-18-22-16(10-26-18)19(23)24/h2-6,8,10H,7,9H2,1H3,(H,23,24)/p-1.
What are the key properties of 2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate?
2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 390.84 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 59786412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).