2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid

C9H14N2O2S — CID 43135019

IUPAC2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid
SMILESCc1nc(C(C)NCC(=O)O)c(C)s1
InChIInChI=1S/C9H14N2O2S/c1-5(10-4-8(12)13)9-6(2)14-7(3)11-9/h5,10H,4H2,1-3H3,(H,12,13)
InChIKeySFLJSGMZLMZRNS-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.50
Rot. Bonds4

About 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid

2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid (PubChem CID 43135019) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid
PubChem CID43135019
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid
SMILESCc1nc(C(C)NCC(=O)O)c(C)s1
InChIInChI=1S/C9H14N2O2S/c1-5(10-4-8(12)13)9-6(2)14-7(3)11-9/h5,10H,4H2,1-3H3,(H,12,13)
InChIKeySFLJSGMZLMZRNS-UHFFFAOYSA-N
XLogP1.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid?
The IUPAC name of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid (CID 43135019) is 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid?
The canonical SMILES for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid is Cc1nc(C(C)NCC(=O)O)c(C)s1.
What is the InChIKey of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid?
The InChIKey is SFLJSGMZLMZRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5(10-4-8(12)13)9-6(2)14-7(3)11-9/h5,10H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid?
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid has a molecular weight of 214.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid is sourced from PubChem (CID 43135019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).