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

C12H18N2O2S — CID 65059809

IUPAC2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid
SMILESCc1nc(C(C)NC(C(=O)O)C2CC2)c(C)s1
InChIInChI=1S/C12H18N2O2S/c1-6(10-7(2)17-8(3)14-10)13-11(12(15)16)9-4-5-9/h6,9,11,13H,4-5H2,1-3H3,(H,15,16)
InChIKeyNTASWGLKDJKDHL-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.27
Rot. Bonds5

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

2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid (PubChem CID 65059809) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid
PubChem CID65059809
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid
SMILESCc1nc(C(C)NC(C(=O)O)C2CC2)c(C)s1
InChIInChI=1S/C12H18N2O2S/c1-6(10-7(2)17-8(3)14-10)13-11(12(15)16)9-4-5-9/h6,9,11,13H,4-5H2,1-3H3,(H,15,16)
InChIKeyNTASWGLKDJKDHL-UHFFFAOYSA-N
XLogP2.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid (CID 65059809) is 2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid is Cc1nc(C(C)NC(C(=O)O)C2CC2)c(C)s1.
What is the InChIKey of 2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid?
The InChIKey is NTASWGLKDJKDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-6(10-7(2)17-8(3)14-10)13-11(12(15)16)9-4-5-9/h6,9,11,13H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid?
2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid has a molecular weight of 254.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid is sourced from PubChem (CID 65059809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).