2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride

C6H2Cl2N2O2S3 — CID 18542430

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(-c2ncc(Cl)s2)s1
InChIInChI=1S/C6H2Cl2N2O2S3/c7-3-1-9-5(13-3)6-10-2-4(14-6)15(8,11)12/h1-2H
InChIKeyDTICRZRWDYTWNH-UHFFFAOYSA-N
MW301.20 g/mol
LogP2.85
Rot. Bonds2

About 2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride

2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride (PubChem CID 18542430) has the molecular formula C6H2Cl2N2O2S3 and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride
PubChem CID18542430
Molecular FormulaC6H2Cl2N2O2S3
Molecular Weight301.20 g/mol
Exact Mass299.87
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(-c2ncc(Cl)s2)s1
InChIInChI=1S/C6H2Cl2N2O2S3/c7-3-1-9-5(13-3)6-10-2-4(14-6)15(8,11)12/h1-2H
InChIKeyDTICRZRWDYTWNH-UHFFFAOYSA-N
XLogP2.85
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride (CID 18542430) is 2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride is O=S(=O)(Cl)c1cnc(-c2ncc(Cl)s2)s1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is DTICRZRWDYTWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2O2S3/c7-3-1-9-5(13-3)6-10-2-4(14-6)15(8,11)12/h1-2H.
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride?
2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 301.20 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 18542430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).