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

C5H4ClNO2S2 — CID 83152992

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(Cl)cs1
InChIInChI=1S/C5H4ClNO2S2/c6-3-1-10-5(7-3)11-2-4(8)9/h1H,2H2,(H,8,9)
InChIKeyPBYGATZSTLKNIG-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.97
Rot. Bonds3

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

2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid (PubChem CID 83152992) has the molecular formula C5H4ClNO2S2 and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid
PubChem CID83152992
Molecular FormulaC5H4ClNO2S2
Molecular Weight209.68 g/mol
Exact Mass208.94
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(Cl)cs1
InChIInChI=1S/C5H4ClNO2S2/c6-3-1-10-5(7-3)11-2-4(8)9/h1H,2H2,(H,8,9)
InChIKeyPBYGATZSTLKNIG-UHFFFAOYSA-N
XLogP1.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-1,3-thiazole-2-carboxylic acid
CID 67025860
Acetic acid;2,4-dichloro-1,3-thiazole
CID 70434379
Ethyl 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetate
CID 83157230
2-((2-Chlorothiazol-4-yl)sulfinyl)acetic acid
CID 168440625
2-((2-Chlorothiazol-4-yl)thio)acetic acid
CID 168440689
2-[[2-(Carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid
CID 71370203
2-[(4-Bromo-1,3-thiazol-2-yl)sulfanyl]acetic acid
CID 79399220
3-[(4-Chloro-1,3-thiazol-2-yl)sulfanyl]-2-methylpropanoic acid
CID 83151925
3-[(4-Chloro-1,3-thiazol-2-yl)sulfanyl]butanoic acid
CID 83152162
2-[(4-Chloro-1,3-thiazol-2-yl)sulfanyl]-2-methylpropanoic acid
CID 83152514
3-[(4-Chloro-1,3-thiazol-2-yl)sulfanyl]propanoic acid
CID 83152873
2-[(4-Chloro-1,3-thiazol-2-yl)sulfanyl]propanoic acid
CID 83152991

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid (CID 83152992) is 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid is O=C(O)CSc1nc(Cl)cs1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid?
The InChIKey is PBYGATZSTLKNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2S2/c6-3-1-10-5(7-3)11-2-4(8)9/h1H,2H2,(H,8,9).
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid?
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid has a molecular weight of 209.68 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 83152992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).