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

C20H20N2O3S — CID 91900912

IUPACethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
SMILESCCOC(=O)Nc1sc(-c2ccc(OC)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C20H20N2O3S/c1-4-25-20(23)22-19-17(14-7-5-13(2)6-8-14)21-18(26-19)15-9-11-16(24-3)12-10-15/h5-12H,4H2,1-3H3,(H,22,23)
InChIKeyRDAVETDWFUCOMO-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.36
Rot. Bonds5

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

ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 91900912) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
PubChem CID91900912
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Nameethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
SMILESCCOC(=O)Nc1sc(-c2ccc(OC)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C20H20N2O3S/c1-4-25-20(23)22-19-17(14-7-5-13(2)6-8-14)21-18(26-19)15-9-11-16(24-3)12-10-15/h5-12H,4H2,1-3H3,(H,22,23)
InChIKeyRDAVETDWFUCOMO-UHFFFAOYSA-N
XLogP5.36
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 91900913
ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 131954915
ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate
CID 154811095
ethyl 4-[5-[5-(ethoxycarbonylamino)-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate
CID 155943000
ethyl 4-[5-[5-[(4-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]furan-2-yl]benzoate
CID 155943004
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate
CID 154811058
N-[2-(cyanomethyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-methoxybenzamide
CID 1178645
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
ethyl N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110317496
ethyl (E)-3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-cyanoprop-2-enoate
CID 10070754
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenoxy)butanamide
CID 133210668

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate (CID 91900912) is ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate is CCOC(=O)Nc1sc(-c2ccc(OC)cc2)nc1-c1ccc(C)cc1.
What is the InChIKey of ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The InChIKey is RDAVETDWFUCOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-4-25-20(23)22-19-17(14-7-5-13(2)6-8-14)21-18(26-19)15-9-11-16(24-3)12-10-15/h5-12H,4H2,1-3H3,(H,22,23).
What are the key properties of ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate?
ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 368.46 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 91900912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).