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

C13H22N2O2S — CID 79268255

IUPAC2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid
SMILESCc1nc(C(C)N(CC(=O)O)C(C)(C)C)c(C)s1
InChIInChI=1S/C13H22N2O2S/c1-8(12-9(2)18-10(3)14-12)15(7-11(16)17)13(4,5)6/h8H,7H2,1-6H3,(H,16,17)
InChIKeyHUQKEEOIMPHGOB-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.01
Rot. Bonds4

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

2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid (PubChem CID 79268255) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid
PubChem CID79268255
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid
SMILESCc1nc(C(C)N(CC(=O)O)C(C)(C)C)c(C)s1
InChIInChI=1S/C13H22N2O2S/c1-8(12-9(2)18-10(3)14-12)15(7-11(16)17)13(4,5)6/h8H,7H2,1-6H3,(H,16,17)
InChIKeyHUQKEEOIMPHGOB-UHFFFAOYSA-N
XLogP3.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,6,7-Tetrahydro-5-methylthiazolo(5,4-c)pyridine-2-carboxylic acid
CID 11149032
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
5-(1-methylcyclopropyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
CID 17842349
5-tert-butyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
CID 17842418
5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
CID 17842608
5-Methyl-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine-2-carboxylic acid
CID 22711439
5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid
CID 22711526
lithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
CID 23694155
4-(Aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid
CID 57041280
5-(2-methylbutan-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
CID 60047460
5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
CID 79568290

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid (CID 79268255) is 2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid is Cc1nc(C(C)N(CC(=O)O)C(C)(C)C)c(C)s1.
What is the InChIKey of 2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid?
The InChIKey is HUQKEEOIMPHGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-8(12-9(2)18-10(3)14-12)15(7-11(16)17)13(4,5)6/h8H,7H2,1-6H3,(H,16,17).
What are the key properties of 2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid?
2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid has a molecular weight of 270.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 79268255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).