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

C13H22N2O2S — CID 39159781

IUPAC2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCCN(CCc1nc(CC(=O)O)cs1)C(C)(C)C
InChIInChI=1S/C13H22N2O2S/c1-5-15(13(2,3)4)7-6-11-14-10(9-18-11)8-12(16)17/h9H,5-8H2,1-4H3,(H,16,17)
InChIKeyMKZWOUHANKBKEP-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.43
Rot. Bonds6

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

2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 39159781) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID39159781
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCCN(CCc1nc(CC(=O)O)cs1)C(C)(C)C
InChIInChI=1S/C13H22N2O2S/c1-5-15(13(2,3)4)7-6-11-14-10(9-18-11)8-12(16)17/h9H,5-8H2,1-4H3,(H,16,17)
InChIKeyMKZWOUHANKBKEP-UHFFFAOYSA-N
XLogP2.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Methyl-1,3-thiazol-4-yl)acetic acid
CID 854632
2-(2-(Propan-2-yl)-1,3-thiazol-4-yl)acetic acid
CID 18758903
2-(2-Tert-butyl-1,3-thiazol-4-yl)acetic acid
CID 43142314
2-[2-(Methylsulfanyl)-1,3-thiazol-4-yl]acetic acid
CID 33696037
2-(2-Butyl-1,3-thiazol-4-yl)acetic acid
CID 79001916
2-[2-(2-Aminoethyl)-1,3-thiazol-4-yl]acetic acid dihydrochloride
CID 50988418
2-(2-(Aminomethyl)-1,3-thiazol-4-yl)acetic acid dihydrochloride
CID 126809425
2-(2-Ethyl-1,3-thiazol-4-yl)acetic acid
CID 43142320
3-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid
CID 124684189
2-[2-(3,3,3-Trifluoropropyl)-1,3-thiazol-4-yl]acetic acid
CID 79954406
2-{2-[Ethyl(2-methylpropyl)amino]-1,3-thiazol-4-yl}acetic acid
CID 80575349
2-Fluoro-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
CID 84655142

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid (CID 39159781) is 2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid is CCN(CCc1nc(CC(=O)O)cs1)C(C)(C)C.
What is the InChIKey of 2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is MKZWOUHANKBKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-15(13(2,3)4)7-6-11-14-10(9-18-11)8-12(16)17/h9H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 270.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[tert-butyl(ethyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 39159781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).