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

C7H9NO2S2 — CID 7131480

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid
SMILESCc1nc(CSCC(=O)O)cs1
InChIInChI=1S/C7H9NO2S2/c1-5-8-6(3-12-5)2-11-4-7(9)10/h3H,2,4H2,1H3,(H,9,10)
InChIKeyJIKOHTMQEPJNFC-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.77
Rot. Bonds4

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

2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid (PubChem CID 7131480) has the molecular formula C7H9NO2S2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid
PubChem CID7131480
Molecular FormulaC7H9NO2S2
Molecular Weight203.29 g/mol
Exact Mass203.01
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid
SMILESCc1nc(CSCC(=O)O)cs1
InChIInChI=1S/C7H9NO2S2/c1-5-8-6(3-12-5)2-11-4-7(9)10/h3H,2,4H2,1H3,(H,9,10)
InChIKeyJIKOHTMQEPJNFC-UHFFFAOYSA-N
XLogP1.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Methyl-thiazol-2-ylsulfanyl)-acetic acid
CID 645306
Ethyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 574575
Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 7130900
4-Methyl-1,3-thiazole-2-carboxylic acid
CID 22499336
4-Ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
3-(4-Methyl-1,3-thiazol-2-yl)prop-2-enoic acid
CID 83752563
Sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate
CID 119031038
2-(4-Methylthiazol-2-yl)acetic acid
CID 4011301
3-(((2-Methyl-1,3-thiazol-4-yl)methyl)sulfanyl)propanoic acid
CID 13052088
3-(4-Methyl-1,3-thiazol-2-yl)propanoic acid
CID 28950260
Potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 75480791
Ethyl 2-(4-methyl-1,3-thiazol-2-ylthio)acetate
CID 717361

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid (CID 7131480) is 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid is Cc1nc(CSCC(=O)O)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid?
The InChIKey is JIKOHTMQEPJNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S2/c1-5-8-6(3-12-5)2-11-4-7(9)10/h3H,2,4H2,1H3,(H,9,10).
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid?
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid has a molecular weight of 203.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid is sourced from PubChem (CID 7131480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).