ethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate

C13H14N2O3S — CID 156824356

IUPACethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate
SMILESCCOC(=O)/N=c1\sccn1-c1ccc(OC)cc1
InChIInChI=1S/C13H14N2O3S/c1-3-18-13(16)14-12-15(8-9-19-12)10-4-6-11(17-2)7-5-10/h4-9H,3H2,1-2H3/b14-12-
InChIKeyCPMJDISRMNGGKN-OWBHPGMISA-N
MW278.33 g/mol
LogP2.60
Rot. Bonds3

About ethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate

ethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate (PubChem CID 156824356) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is ethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate
PubChem CID156824356
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Nameethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate
SMILESCCOC(=O)/N=c1\sccn1-c1ccc(OC)cc1
InChIInChI=1S/C13H14N2O3S/c1-3-18-13(16)14-12-15(8-9-19-12)10-4-6-11(17-2)7-5-10/h4-9H,3H2,1-2H3/b14-12-
InChIKeyCPMJDISRMNGGKN-OWBHPGMISA-N
XLogP2.60
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate
CID 131232981
2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
CID 51146790
ethyl 5-acetylimino-4-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxylate
CID 698440
ethyl 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoate
CID 60600653
ethyl 2-(4-methoxyphenyl)selanylacetate
CID 10635957
ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 1482371
1-O-ethyl 4-O-[2-(4-methoxyphenoxy)-2-oxoethyl] but-2-enedioate
CID 69126314
N-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride
CID 18532258
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate
CID 139631069
ethyl (NZ)-N-[4-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]carbamate
CID 11210070
ethyl 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
CID 741661

Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate?
The IUPAC name of ethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate (CID 156824356) is ethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate.
What is the SMILES notation for ethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate?
The canonical SMILES for ethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate is CCOC(=O)/N=c1\sccn1-c1ccc(OC)cc1.
What is the InChIKey of ethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate?
The InChIKey is CPMJDISRMNGGKN-OWBHPGMISA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-18-13(16)14-12-15(8-9-19-12)10-4-6-11(17-2)7-5-10/h4-9H,3H2,1-2H3/b14-12-.
What are the key properties of ethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate?
ethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate has a molecular weight of 278.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ)-N-[3-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]carbamate is sourced from PubChem (CID 156824356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).