3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid

C12H19NO3S — CID 82440885

IUPAC3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCOCc1nc(CC(C)C)sc1CCC(=O)O
InChIInChI=1S/C12H19NO3S/c1-8(2)6-11-13-9(7-16-3)10(17-11)4-5-12(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyPLZWDFKLIVQSAF-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.51
Rot. Bonds7

About 3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid

3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid (PubChem CID 82440885) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid
PubChem CID82440885
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCOCc1nc(CC(C)C)sc1CCC(=O)O
InChIInChI=1S/C12H19NO3S/c1-8(2)6-11-13-9(7-16-3)10(17-11)4-5-12(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyPLZWDFKLIVQSAF-UHFFFAOYSA-N
XLogP2.51
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic 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-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82440694
3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid
CID 82441961
3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid
CID 82441990
3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82440255
3-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82432135
3-[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82428468
3-[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]propanoic acid
CID 82431158
5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
CID 115059841
N-[[2-(methoxymethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368906
3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82428151
2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82441563
6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 106260432

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid (CID 82440885) is 3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid is COCc1nc(CC(C)C)sc1CCC(=O)O.
What is the InChIKey of 3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is PLZWDFKLIVQSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-8(2)6-11-13-9(7-16-3)10(17-11)4-5-12(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid?
3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 257.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 82440885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).