2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid

C14H22N2O3S — CID 119205538

IUPAC2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C14H22N2O3S/c1-6-7-16(8-10(17)18)12(19)11-9(2)15-13(20-11)14(3,4)5/h6-8H2,1-5H3,(H,17,18)
InChIKeySRTSWVOYQNIUKA-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.69
Rot. Bonds5

About 2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid

2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid (PubChem CID 119205538) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
PubChem CID119205538
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C14H22N2O3S/c1-6-7-16(8-10(17)18)12(19)11-9(2)15-13(20-11)14(3,4)5/h6-8H2,1-5H3,(H,17,18)
InChIKeySRTSWVOYQNIUKA-UHFFFAOYSA-N
XLogP2.69
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
CID 119205644
2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 61011678
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
CID 119205389
2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone
CID 105466261
2-[(4-tert-butylbenzoyl)-propylamino]acetic acid
CID 61011522
2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid
CID 61389348
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid
CID 79268319
2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 61012772
2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 119204826
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-propylamino]acetic acid
CID 61008919
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119205035

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid (CID 119205538) is 2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1sc(C(C)(C)C)nc1C.
What is the InChIKey of 2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid?
The InChIKey is SRTSWVOYQNIUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-6-7-16(8-10(17)18)12(19)11-9(2)15-13(20-11)14(3,4)5/h6-8H2,1-5H3,(H,17,18).
What are the key properties of 2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid?
2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid has a molecular weight of 298.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 119205538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).