ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate

C10H15N3O3S — CID 47051864

IUPACethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
SMILESCCOC(=O)N(C)CC(=O)Nc1ncc(C)s1
InChIInChI=1S/C10H15N3O3S/c1-4-16-10(15)13(3)6-8(14)12-9-11-5-7(2)17-9/h5H,4,6H2,1-3H3,(H,11,12,14)
InChIKeyWXSNLXVYXPQPBJ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.48
Rot. Bonds4

About ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate

ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate (PubChem CID 47051864) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
PubChem CID47051864
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Nameethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
SMILESCCOC(=O)N(C)CC(=O)Nc1ncc(C)s1
InChIInChI=1S/C10H15N3O3S/c1-4-16-10(15)13(3)6-8(14)12-9-11-5-7(2)17-9/h5H,4,6H2,1-3H3,(H,11,12,14)
InChIKeyWXSNLXVYXPQPBJ-UHFFFAOYSA-N
XLogP1.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate?
The IUPAC name of ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate (CID 47051864) is ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate is CCOC(=O)N(C)CC(=O)Nc1ncc(C)s1.
What is the InChIKey of ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate?
The InChIKey is WXSNLXVYXPQPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-4-16-10(15)13(3)6-8(14)12-9-11-5-7(2)17-9/h5H,4,6H2,1-3H3,(H,11,12,14).
What are the key properties of ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate?
ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate has a molecular weight of 257.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 47051864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).