ethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate

C14H15N3O3S — CID 766139

IUPACethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Nc2ccccc2)nc1C
InChIInChI=1S/C14H15N3O3S/c1-3-20-12(18)11-9(2)15-14(21-11)17-13(19)16-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,15,16,17,19)
InChIKeyAIIUEMKMJFUMMX-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.27
Rot. Bonds4

About ethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate (PubChem CID 766139) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate
PubChem CID766139
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Nameethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Nc2ccccc2)nc1C
InChIInChI=1S/C14H15N3O3S/c1-3-20-12(18)11-9(2)15-14(21-11)17-13(19)16-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,15,16,17,19)
InChIKeyAIIUEMKMJFUMMX-UHFFFAOYSA-N
XLogP3.27
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate (CID 766139) is ethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Nc2ccccc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is AIIUEMKMJFUMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-3-20-12(18)11-9(2)15-14(21-11)17-13(19)16-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,15,16,17,19).
What are the key properties of ethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 766139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).