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

C11H17NO3S2 — CID 82440694

IUPAC2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOCc1nc(CSC(C)C)sc1CC(=O)O
InChIInChI=1S/C11H17NO3S2/c1-7(2)16-6-10-12-8(5-15-3)9(17-10)4-11(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyCBHBIALCYMJZNQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.56
Rot. Bonds7

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

2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 82440694) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID82440694
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOCc1nc(CSC(C)C)sc1CC(=O)O
InChIInChI=1S/C11H17NO3S2/c1-7(2)16-6-10-12-8(5-15-3)9(17-10)4-11(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyCBHBIALCYMJZNQ-UHFFFAOYSA-N
XLogP2.56
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(methoxymethyl)-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-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82429290
N-[[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440685
4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole-5-carbothioamide
CID 82440690
3-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82432135
2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82441563
3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid
CID 82440885
2-[2-(2-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82431442
2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82440343
2-[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 82441915
2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82441955
N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440618
2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid
CID 82431548

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid (CID 82440694) is 2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid is COCc1nc(CSC(C)C)sc1CC(=O)O.
What is the InChIKey of 2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is CBHBIALCYMJZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-7(2)16-6-10-12-8(5-15-3)9(17-10)4-11(13)14/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid?
2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 275.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82440694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).