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

C15H16ClN3O3S — CID 156824462

IUPACethyl (NZ)-N-[3-(2-chlorophenyl)-4-(dimethylcarbamoyl)-1,3-thiazol-2-ylidene]carbamate
SMILESCCOC(=O)/N=c1\scc(C(=O)N(C)C)n1-c1ccccc1Cl
InChIInChI=1S/C15H16ClN3O3S/c1-4-22-15(21)17-14-19(11-8-6-5-7-10(11)16)12(9-23-14)13(20)18(2)3/h5-9H,4H2,1-3H3/b17-14-
InChIKeyBWWRUVAYTXEMEO-VKAVYKQESA-N
MW353.83 g/mol
LogP2.95
Rot. Bonds3

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

ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(dimethylcarbamoyl)-1,3-thiazol-2-ylidene]carbamate (PubChem CID 156824462) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(dimethylcarbamoyl)-1,3-thiazol-2-ylidene]carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-[3-(2-chlorophenyl)-4-(dimethylcarbamoyl)-1,3-thiazol-2-ylidene]carbamate
PubChem CID156824462
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Nameethyl (NZ)-N-[3-(2-chlorophenyl)-4-(dimethylcarbamoyl)-1,3-thiazol-2-ylidene]carbamate
SMILESCCOC(=O)/N=c1\scc(C(=O)N(C)C)n1-c1ccccc1Cl
InChIInChI=1S/C15H16ClN3O3S/c1-4-22-15(21)17-14-19(11-8-6-5-7-10(11)16)12(9-23-14)13(20)18(2)3/h5-9H,4H2,1-3H3/b17-14-
InChIKeyBWWRUVAYTXEMEO-VKAVYKQESA-N
XLogP2.95
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(dimethylcarbamoyl)-1,3-thiazol-2-ylidene]carbamate?
The IUPAC name of ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(dimethylcarbamoyl)-1,3-thiazol-2-ylidene]carbamate (CID 156824462) is ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(dimethylcarbamoyl)-1,3-thiazol-2-ylidene]carbamate.
What is the SMILES notation for ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(dimethylcarbamoyl)-1,3-thiazol-2-ylidene]carbamate?
The canonical SMILES for ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(dimethylcarbamoyl)-1,3-thiazol-2-ylidene]carbamate is CCOC(=O)/N=c1\scc(C(=O)N(C)C)n1-c1ccccc1Cl.
What is the InChIKey of ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(dimethylcarbamoyl)-1,3-thiazol-2-ylidene]carbamate?
The InChIKey is BWWRUVAYTXEMEO-VKAVYKQESA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-4-22-15(21)17-14-19(11-8-6-5-7-10(11)16)12(9-23-14)13(20)18(2)3/h5-9H,4H2,1-3H3/b17-14-.
What are the key properties of ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(dimethylcarbamoyl)-1,3-thiazol-2-ylidene]carbamate?
ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(dimethylcarbamoyl)-1,3-thiazol-2-ylidene]carbamate has a molecular weight of 353.83 g/mol, XLogP of 2.95, 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-(2-chlorophenyl)-4-(dimethylcarbamoyl)-1,3-thiazol-2-ylidene]carbamate is sourced from PubChem (CID 156824462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).