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

C12H20N2O2S — CID 43774265

IUPAC2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]acetic acid
SMILESCc1nc(C(C)(C)C)sc1C(C)NCC(=O)O
InChIInChI=1S/C12H20N2O2S/c1-7(13-6-9(15)16)10-8(2)14-11(17-10)12(3,4)5/h7,13H,6H2,1-5H3,(H,15,16)
InChIKeyPNJDQPXKEMUMCS-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.48
Rot. Bonds4

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

2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]acetic acid (PubChem CID 43774265) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]acetic acid
PubChem CID43774265
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]acetic acid
SMILESCc1nc(C(C)(C)C)sc1C(C)NCC(=O)O
InChIInChI=1S/C12H20N2O2S/c1-7(13-6-9(15)16)10-8(2)14-11(17-10)12(3,4)5/h7,13H,6H2,1-5H3,(H,15,16)
InChIKeyPNJDQPXKEMUMCS-UHFFFAOYSA-N
XLogP2.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 94195848
4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic Acid Hydrochloride
CID 68643955
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 47317384
2-[1-(2,5-Dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266352
2-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266804
3-[1-(2-Tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778700
3-[1-(2-Tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1-difluoropropan-2-ol
CID 103788012
2-[[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 113792922
6-Methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
CID 22709819
4-(Aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid
CID 57041280
4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid
CID 68643956
4-Tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
CID 68905386

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]acetic acid?
The IUPAC name of 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]acetic acid (CID 43774265) is 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]acetic acid?
The canonical SMILES for 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]acetic acid is Cc1nc(C(C)(C)C)sc1C(C)NCC(=O)O.
What is the InChIKey of 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]acetic acid?
The InChIKey is PNJDQPXKEMUMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-7(13-6-9(15)16)10-8(2)14-11(17-10)12(3,4)5/h7,13H,6H2,1-5H3,(H,15,16).
What are the key properties of 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]acetic acid?
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]acetic acid has a molecular weight of 256.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]acetic acid is sourced from PubChem (CID 43774265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).