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

C10H16N2O3S — CID 80575301

IUPAC2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCOCC(C)N(C)c1nc(CC(=O)O)cs1
InChIInChI=1S/C10H16N2O3S/c1-7(5-15-3)12(2)10-11-8(6-16-10)4-9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyAOXFFNDOUCSQFM-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.24
Rot. Bonds6

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

2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 80575301) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID80575301
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCOCC(C)N(C)c1nc(CC(=O)O)cs1
InChIInChI=1S/C10H16N2O3S/c1-7(5-15-3)12(2)10-11-8(6-16-10)4-9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyAOXFFNDOUCSQFM-UHFFFAOYSA-N
XLogP1.24
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 82952489
3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486550
methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575730
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 124512662
2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 54969150
2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid
CID 62313602
methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574854
3-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103488756
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid
CID 83876777
2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576396
2-[methyl(pentan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568901

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 80575301) is 2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid is COCC(C)N(C)c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is AOXFFNDOUCSQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-7(5-15-3)12(2)10-11-8(6-16-10)4-9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 244.32 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80575301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).