2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid

C7H8ClNO2S2 — CID 145363257

IUPAC2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid
SMILESCc1nc(Cl)sc1CSCC(=O)O
InChIInChI=1S/C7H8ClNO2S2/c1-4-5(13-7(8)9-4)2-12-3-6(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyZLLYLOQQVWKGHL-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.42
Rot. Bonds4

About 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid

2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid (PubChem CID 145363257) has the molecular formula C7H8ClNO2S2 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid
PubChem CID145363257
Molecular FormulaC7H8ClNO2S2
Molecular Weight237.73 g/mol
Exact Mass236.97
IUPAC Name2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid
SMILESCc1nc(Cl)sc1CSCC(=O)O
InChIInChI=1S/C7H8ClNO2S2/c1-4-5(13-7(8)9-4)2-12-3-6(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyZLLYLOQQVWKGHL-UHFFFAOYSA-N
XLogP2.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid?
The IUPAC name of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid (CID 145363257) is 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid?
The canonical SMILES for 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid is Cc1nc(Cl)sc1CSCC(=O)O.
What is the InChIKey of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid?
The InChIKey is ZLLYLOQQVWKGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S2/c1-4-5(13-7(8)9-4)2-12-3-6(10)11/h2-3H2,1H3,(H,10,11).
What are the key properties of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid?
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid has a molecular weight of 237.73 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid is sourced from PubChem (CID 145363257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).