ethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate

C9H14N2O2S — CID 166441264

IUPACethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate
SMILESC=C1CN=C(NCCC(=O)OCC)S1
InChIInChI=1S/C9H14N2O2S/c1-3-13-8(12)4-5-10-9-11-6-7(2)14-9/h2-6H2,1H3,(H,10,11)
InChIKeyWRMVZNTZHBMSFB-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.15
Rot. Bonds4

About ethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate

ethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate (PubChem CID 166441264) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate
PubChem CID166441264
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate
SMILESC=C1CN=C(NCCC(=O)OCC)S1
InChIInChI=1S/C9H14N2O2S/c1-3-13-8(12)4-5-10-9-11-6-7(2)14-9/h2-6H2,1H3,(H,10,11)
InChIKeyWRMVZNTZHBMSFB-UHFFFAOYSA-N
XLogP1.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 166441263
CID 166441263
CID 61295197
CID 61295197
CID 61960677
CID 61960677
CID 61960867
CID 61960867
CID 101899397
CID 101899397

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate (CID 166441264) is ethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate is C=C1CN=C(NCCC(=O)OCC)S1.
What is the InChIKey of ethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate?
The InChIKey is WRMVZNTZHBMSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-13-8(12)4-5-10-9-11-6-7(2)14-9/h2-6H2,1H3,(H,10,11).
What are the key properties of ethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate?
ethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate has a molecular weight of 214.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate is sourced from PubChem (CID 166441264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).