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

C13H20N2O3S — CID 82155056

IUPAC2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCCCCN(C)C(=O)Cc1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C13H20N2O3S/c1-4-5-6-15(3)12(16)8-11-14-9(2)10(19-11)7-13(17)18/h4-8H2,1-3H3,(H,17,18)
InChIKeyOWFLAXVXGXEXID-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.88
Rot. Bonds7

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

2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82155056) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID82155056
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCCCCN(C)C(=O)Cc1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C13H20N2O3S/c1-4-5-6-15(3)12(16)8-11-14-9(2)10(19-11)7-13(17)18/h4-8H2,1-3H3,(H,17,18)
InChIKeyOWFLAXVXGXEXID-UHFFFAOYSA-N
XLogP1.88
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82155079
2-(4-methyl-2-pentyl-1,3-thiazol-5-yl)acetic acid
CID 82054967
2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 79019725
4-[[2-[2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetyl]-methylamino]butanoic acid
CID 167785537
2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64663104
2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid
CID 70616107
2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 82155435
2-[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82054979
2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155063
2-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82117421
2-[4-methyl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82094233
N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935904

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 82155056) is 2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid is CCCCN(C)C(=O)Cc1nc(C)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is OWFLAXVXGXEXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-5-6-15(3)12(16)8-11-14-9(2)10(19-11)7-13(17)18/h4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 284.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82155056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).