2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid

C11H17NO2S2 — CID 82429290

IUPAC2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCc1nc(CSC(C)C)sc1CC(=O)O
InChIInChI=1S/C11H17NO2S2/c1-4-8-9(5-11(13)14)16-10(12-8)6-15-7(2)3/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyIRAHETSEURNFTM-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.97
Rot. Bonds6

About 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid

2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 82429290) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID82429290
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCc1nc(CSC(C)C)sc1CC(=O)O
InChIInChI=1S/C11H17NO2S2/c1-4-8-9(5-11(13)14)16-10(12-8)6-15-7(2)3/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyIRAHETSEURNFTM-UHFFFAOYSA-N
XLogP2.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-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-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82440694
3-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82432135
N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429278
2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82429293
2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid
CID 82431548
2-[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82430708
2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid
CID 82069378
N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432115
2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid
CID 82428952
2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432920
2-[2-(2-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82431442
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid (CID 82429290) is 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid is CCc1nc(CSC(C)C)sc1CC(=O)O.
What is the InChIKey of 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is IRAHETSEURNFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-4-8-9(5-11(13)14)16-10(12-8)6-15-7(2)3/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid?
2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 259.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82429290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).