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

C6H7NO2S2 — CID 645306

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetic acid
SMILESCc1csc(SCC(=O)O)n1
InChIInChI=1S/C6H7NO2S2/c1-4-2-10-6(7-4)11-3-5(8)9/h2H,3H2,1H3,(H,8,9)
InChIKeySMTQOYIRMDGTAY-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.63
Rot. Bonds3

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

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetic acid (PubChem CID 645306) has the molecular formula C6H7NO2S2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetic acid
PubChem CID645306
Molecular FormulaC6H7NO2S2
Molecular Weight189.26 g/mol
Exact Mass188.99
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetic acid
SMILESCc1csc(SCC(=O)O)n1
InChIInChI=1S/C6H7NO2S2/c1-4-2-10-6(7-4)11-3-5(8)9/h2H,3H2,1H3,(H,8,9)
InChIKeySMTQOYIRMDGTAY-UHFFFAOYSA-N
XLogP1.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-1,3-thiazole-2-carboxylic acid
CID 22499336
{[(2-Methyl-1,3-thiazol-4-yl)methyl]thio}acetic acid
CID 7131480
2-(4-Methylthiazol-2-yl)acetic acid
CID 4011301
4-Methyl-2-(methylsulfanyl)-1,3-thiazole
CID 22156633
3-(((2-Methyl-1,3-thiazol-4-yl)methyl)sulfanyl)propanoic acid
CID 13052088
Ethyl 2-(4-methyl-1,3-thiazol-2-ylthio)acetate
CID 717361
[4-(Difluoromethyl)-1,3-thiazol-2-yl] acetate
CID 174788246
4,4,4-Trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid
CID 63100147
2-[[4-(Trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetic acid
CID 64308293
Methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate
CID 75384893
2-Fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 75480669
Ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
CID 79357336

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetic acid (CID 645306) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetic acid is Cc1csc(SCC(=O)O)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetic acid?
The InChIKey is SMTQOYIRMDGTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S2/c1-4-2-10-6(7-4)11-3-5(8)9/h2H,3H2,1H3,(H,8,9).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetic acid?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetic acid has a molecular weight of 189.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 645306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).