ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate

C25H21ClN2O3S — CID 91900913

IUPACethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
SMILESCCOC(=O)Nc1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C25H21ClN2O3S/c1-3-30-25(29)28-24-22(17-6-4-16(2)5-7-17)27-23(32-24)18-8-12-20(13-9-18)31-21-14-10-19(26)11-15-21/h4-15H,3H2,1-2H3,(H,28,29)
InChIKeyHQIYKLCESJKZGY-UHFFFAOYSA-N
MW464.97 g/mol
LogP7.80
Rot. Bonds6

About ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate

ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 91900913) has the molecular formula C25H21ClN2O3S and a molecular weight of 464.97 g/mol. Its IUPAC name is ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
PubChem CID91900913
Molecular FormulaC25H21ClN2O3S
Molecular Weight464.97 g/mol
Exact Mass464.10
IUPAC Nameethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
SMILESCCOC(=O)Nc1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C25H21ClN2O3S/c1-3-30-25(29)28-24-22(17-6-4-16(2)5-7-17)27-23(32-24)18-8-12-20(13-9-18)31-21-14-10-19(26)11-15-21/h4-15H,3H2,1-2H3,(H,28,29)
InChIKeyHQIYKLCESJKZGY-UHFFFAOYSA-N
XLogP7.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 91900912
ethyl 4-[5-[5-(ethoxycarbonylamino)-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate
CID 155943000
N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
CID 35673976
ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate
CID 154811095
N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 71671047
N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 155943136
ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
CID 3624682
ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate
CID 154811058
ethyl 2-(4-chlorophenoxy)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 122369282
ethyl 4-(4-chlorophenyl)-2-(ethoxycarbonylamino)thiophene-3-carboxylate
CID 1291533
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868476
ethyl 2-bromo-4-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 39732279

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate (CID 91900913) is ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate is CCOC(=O)Nc1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1-c1ccc(C)cc1.
What is the InChIKey of ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The InChIKey is HQIYKLCESJKZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3S/c1-3-30-25(29)28-24-22(17-6-4-16(2)5-7-17)27-23(32-24)18-8-12-20(13-9-18)31-21-14-10-19(26)11-15-21/h4-15H,3H2,1-2H3,(H,28,29).
What are the key properties of ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate?
ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 464.97 g/mol, XLogP of 7.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 91900913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).