ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate

C14H15N3O3S — CID 728643

IUPACethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H15N3O3S/c1-2-20-12(18)8-11-9-21-14(16-11)17-13(19)15-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,15,16,17,19)
InChIKeyQFRSUAYVIOTVCF-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.89
Rot. Bonds5

About ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 728643) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID728643
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Nameethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H15N3O3S/c1-2-20-12(18)8-11-9-21-14(16-11)17-13(19)15-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,15,16,17,19)
InChIKeyQFRSUAYVIOTVCF-UHFFFAOYSA-N
XLogP2.89
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate (CID 728643) is ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1.
What is the InChIKey of ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is QFRSUAYVIOTVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-2-20-12(18)8-11-9-21-14(16-11)17-13(19)15-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,15,16,17,19).
What are the key properties of ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 305.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 728643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).