ethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate

C17H19N3O3S — CID 68798931

IUPACethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(C(N)=O)c2cc(C3CC3)ccc2C)n1
InChIInChI=1S/C17H19N3O3S/c1-3-23-15(21)13-9-24-17(19-13)20(16(18)22)14-8-12(11-6-7-11)5-4-10(14)2/h4-5,8-9,11H,3,6-7H2,1-2H3,(H2,18,22)
InChIKeyTXSIMATUGDCNOF-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.72
Rot. Bonds5

About ethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate

ethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate (PubChem CID 68798931) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is ethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate
PubChem CID68798931
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Nameethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(C(N)=O)c2cc(C3CC3)ccc2C)n1
InChIInChI=1S/C17H19N3O3S/c1-3-23-15(21)13-9-24-17(19-13)20(16(18)22)14-8-12(11-6-7-11)5-4-10(14)2/h4-5,8-9,11H,3,6-7H2,1-2H3,(H2,18,22)
InChIKeyTXSIMATUGDCNOF-UHFFFAOYSA-N
XLogP3.72
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate (CID 68798931) is ethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N(C(N)=O)c2cc(C3CC3)ccc2C)n1.
What is the InChIKey of ethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is TXSIMATUGDCNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-3-23-15(21)13-9-24-17(19-13)20(16(18)22)14-8-12(11-6-7-11)5-4-10(14)2/h4-5,8-9,11H,3,6-7H2,1-2H3,(H2,18,22).
What are the key properties of ethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate?
ethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 345.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 68798931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).