2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid

C9H14N2O2S — CID 56828805

IUPAC2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid
SMILESCc1ncsc1CCN(C)CC(=O)O
InChIInChI=1S/C9H14N2O2S/c1-7-8(14-6-10-7)3-4-11(2)5-9(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyJMRPUCCNWPEFJX-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.01
Rot. Bonds5

About 2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid

2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid (PubChem CID 56828805) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid
PubChem CID56828805
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid
SMILESCc1ncsc1CCN(C)CC(=O)O
InChIInChI=1S/C9H14N2O2S/c1-7-8(14-6-10-7)3-4-11(2)5-9(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyJMRPUCCNWPEFJX-UHFFFAOYSA-N
XLogP1.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid (CID 56828805) is 2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid is Cc1ncsc1CCN(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid?
The InChIKey is JMRPUCCNWPEFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7-8(14-6-10-7)3-4-11(2)5-9(12)13/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid?
2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid has a molecular weight of 214.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 56828805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).