4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium

C12H9ClNO2S4+ — CID 162533870

IUPAC4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium
SMILESO=S(=O)(Cc1[nH+]c(-c2ccc(Cl)s2)cs1)c1cccs1
InChIInChI=1S/C12H8ClNO2S4/c13-10-4-3-9(19-10)8-6-18-11(14-8)7-20(15,16)12-2-1-5-17-12/h1-6H,7H2/p+1
InChIKeyRNWCXVNZHBPXSO-UHFFFAOYSA-O
MW362.93 g/mol
LogP3.98
Rot. Bonds4

About 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium

4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium (PubChem CID 162533870) has the molecular formula C12H9ClNO2S4+ and a molecular weight of 362.93 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium
PubChem CID162533870
Molecular FormulaC12H9ClNO2S4+
Molecular Weight362.93 g/mol
Exact Mass361.92
IUPAC Name4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium
SMILESO=S(=O)(Cc1[nH+]c(-c2ccc(Cl)s2)cs1)c1cccs1
InChIInChI=1S/C12H8ClNO2S4/c13-10-4-3-9(19-10)8-6-18-11(14-8)7-20(15,16)12-2-1-5-17-12/h1-6H,7H2/p+1
InChIKeyRNWCXVNZHBPXSO-UHFFFAOYSA-O
XLogP3.98
TPSA48.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Chlorothiophen-2-yl)-2-[(thiophene-2-sulfonyl)methyl]-1,3-thiazole hydrobromide
CID 2809433
4-(5-Chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole bromide
CID 44415172
2-((4-((5-Chlorothiophen-2-yl)sulfonyl)piperazin-1-yl)methyl)-4-(thiophen-2-yl)thiazole
CID 30463883
N-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835873
N-(4-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835874
4-(5-Chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole;hydrobromide
CID 2809432
5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 8015649
5-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 8603543
4-(5-Chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole
CID 47027501
N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50846761
4-(5-Chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole
CID 71874688
N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine
CID 112808403

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium (CID 162533870) is 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium is O=S(=O)(Cc1[nH+]c(-c2ccc(Cl)s2)cs1)c1cccs1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium?
The InChIKey is RNWCXVNZHBPXSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H8ClNO2S4/c13-10-4-3-9(19-10)8-6-18-11(14-8)7-20(15,16)12-2-1-5-17-12/h1-6H,7H2/p+1.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium?
4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium has a molecular weight of 362.93 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-3-ium is sourced from PubChem (CID 162533870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).