2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride

C6H7ClN2O3S2 — CID 22245084

IUPAC2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride
SMILESCC(=O)NCc1ncc(S(=O)(=O)Cl)s1
InChIInChI=1S/C6H7ClN2O3S2/c1-4(10)8-2-5-9-3-6(13-5)14(7,11)12/h3H,2H2,1H3,(H,8,10)
InChIKeyDCORQHIEPDKUDQ-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.71
Rot. Bonds3

About 2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride

2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride (PubChem CID 22245084) has the molecular formula C6H7ClN2O3S2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride
PubChem CID22245084
Molecular FormulaC6H7ClN2O3S2
Molecular Weight254.72 g/mol
Exact Mass253.96
IUPAC Name2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride
SMILESCC(=O)NCc1ncc(S(=O)(=O)Cl)s1
InChIInChI=1S/C6H7ClN2O3S2/c1-4(10)8-2-5-9-3-6(13-5)14(7,11)12/h3H,2H2,1H3,(H,8,10)
InChIKeyDCORQHIEPDKUDQ-UHFFFAOYSA-N
XLogP0.71
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(Aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride
CID 130345165
5-Acetamido-1,3-thiazole-2-sulfonyl fluoride
CID 170911990
N-(2-sulfamoyl-1,3-thiazol-5-yl)acetamide
CID 70573476
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61047616
2-Methylaminomethyl-1,3-thiazole-5-sulphonamide
CID 21957438
5-Sulfamoyl-1,3-thiazole-2-carboxamide
CID 67218803
N-(1,3-thiazol-5-ylsulfonyl)acetamide
CID 67625045
S-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl] ethanethioate
CID 85709644
5-(Ethylsulfonyl)-2-thiazolemethanamine hydrochloride
CID 142503440
N,N-dimethyl-5-sulfamoyl-1,3-thiazole-2-carboxamide
CID 167336881
Thiazole, 5-acetamido-2-(methylsulfonyl)-
CID 518313
4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one
CID 43427528

Frequently Asked Questions

What is the IUPAC name of 2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride (CID 22245084) is 2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride is CC(=O)NCc1ncc(S(=O)(=O)Cl)s1.
What is the InChIKey of 2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is DCORQHIEPDKUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O3S2/c1-4(10)8-2-5-9-3-6(13-5)14(7,11)12/h3H,2H2,1H3,(H,8,10).
What are the key properties of 2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride?
2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 254.72 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 22245084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).