2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate

C9H14N2O2S — CID 164942727

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate
SMILESCc1ncsc1CCOC(=O)CCN
InChIInChI=1S/C9H14N2O2S/c1-7-8(14-6-11-7)3-5-13-9(12)2-4-10/h6H,2-5,10H2,1H3
InChIKeyMFMAVANTFRPKKS-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.89
Rot. Bonds5

About 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate

2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate (PubChem CID 164942727) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate
PubChem CID164942727
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate
SMILESCc1ncsc1CCOC(=O)CCN
InChIInChI=1S/C9H14N2O2S/c1-7-8(14-6-11-7)3-5-13-9(12)2-4-10/h6H,2-5,10H2,1H3
InChIKeyMFMAVANTFRPKKS-UHFFFAOYSA-N
XLogP0.89
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate (CID 164942727) is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate is Cc1ncsc1CCOC(=O)CCN.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate?
The InChIKey is MFMAVANTFRPKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7-8(14-6-11-7)3-5-13-9(12)2-4-10/h6H,2-5,10H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate?
2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate has a molecular weight of 214.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate is sourced from PubChem (CID 164942727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).