ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate

C26H23FN2O4S — CID 154811095

IUPACethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate
SMILESCCOC(=O)Nc1sc(-c2ccc(OCc3ccccc3F)c(OC)c2)nc1-c1ccccc1
InChIInChI=1S/C26H23FN2O4S/c1-3-32-26(30)29-25-23(17-9-5-4-6-10-17)28-24(34-25)18-13-14-21(22(15-18)31-2)33-16-19-11-7-8-12-20(19)27/h4-15H,3,16H2,1-2H3,(H,29,30)
InChIKeySLDIGIVSECQDPR-UHFFFAOYSA-N
MW478.55 g/mol
LogP6.77
Rot. Bonds8

About ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate

ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate (PubChem CID 154811095) has the molecular formula C26H23FN2O4S and a molecular weight of 478.55 g/mol. Its IUPAC name is ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate
PubChem CID154811095
Molecular FormulaC26H23FN2O4S
Molecular Weight478.55 g/mol
Exact Mass478.14
IUPAC Nameethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate
SMILESCCOC(=O)Nc1sc(-c2ccc(OCc3ccccc3F)c(OC)c2)nc1-c1ccccc1
InChIInChI=1S/C26H23FN2O4S/c1-3-32-26(30)29-25-23(17-9-5-4-6-10-17)28-24(34-25)18-13-14-21(22(15-18)31-2)33-16-19-11-7-8-12-20(19)27/h4-15H,3,16H2,1-2H3,(H,29,30)
InChIKeySLDIGIVSECQDPR-UHFFFAOYSA-N
XLogP6.77
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 91900912
N-benzyl-2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46164980
2-[2-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987679
ethyl 4-[5-[5-(ethoxycarbonylamino)-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate
CID 155943000
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110338068
ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 91900913
ethyl 5-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400090
5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403158
ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate
CID 97036008
3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108747872
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745227

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate?
The IUPAC name of ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate (CID 154811095) is ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate is CCOC(=O)Nc1sc(-c2ccc(OCc3ccccc3F)c(OC)c2)nc1-c1ccccc1.
What is the InChIKey of ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate?
The InChIKey is SLDIGIVSECQDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O4S/c1-3-32-26(30)29-25-23(17-9-5-4-6-10-17)28-24(34-25)18-13-14-21(22(15-18)31-2)33-16-19-11-7-8-12-20(19)27/h4-15H,3,16H2,1-2H3,(H,29,30).
What are the key properties of ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate?
ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate has a molecular weight of 478.55 g/mol, XLogP of 6.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 154811095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).