ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate

C9H13N3O3S — CID 43384951

IUPACethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ncc(C)s1
InChIInChI=1S/C9H13N3O3S/c1-3-15-7(13)5-10-8(14)12-9-11-4-6(2)16-9/h4H,3,5H2,1-2H3,(H2,10,11,12,14)
InChIKeySXYJGGRFBVPWPB-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.14
Rot. Bonds4

About ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate

ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate (PubChem CID 43384951) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate
PubChem CID43384951
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Nameethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ncc(C)s1
InChIInChI=1S/C9H13N3O3S/c1-3-15-7(13)5-10-8(14)12-9-11-4-6(2)16-9/h4H,3,5H2,1-2H3,(H2,10,11,12,14)
InChIKeySXYJGGRFBVPWPB-UHFFFAOYSA-N
XLogP1.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 127018306
N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide
CID 47196954
ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
CID 42770878
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 109379520
1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 124607917
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 115431582
ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate
CID 107589554
(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 107838128
1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71931128
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate
CID 113245875
ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate
CID 60669660

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate (CID 43384951) is ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1ncc(C)s1.
What is the InChIKey of ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate?
The InChIKey is SXYJGGRFBVPWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-3-15-7(13)5-10-8(14)12-9-11-4-6(2)16-9/h4H,3,5H2,1-2H3,(H2,10,11,12,14).
What are the key properties of ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate?
ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate has a molecular weight of 243.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate is sourced from PubChem (CID 43384951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).