4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine

C10H9ClN2O2S2 — CID 750249

IUPAC4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H9ClN2O2S2/c11-7-1-3-9(4-2-7)17(14,15)6-8-5-16-10(12)13-8/h1-5H,6H2,(H2,12,13)
InChIKeyYGITUXGUPOORQX-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.35
Rot. Bonds3

About 4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine

4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine (PubChem CID 750249) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine
PubChem CID750249
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Name4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H9ClN2O2S2/c11-7-1-3-9(4-2-7)17(14,15)6-8-5-16-10(12)13-8/h1-5H,6H2,(H2,12,13)
InChIKeyYGITUXGUPOORQX-UHFFFAOYSA-N
XLogP2.35
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 847131
4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 23603416
4-Chloro-N-thiazol-2-yl-benzenesulfonamide
CID 306826
4-[1-(4-Chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 2998200
N'-(benzenesulfonyl)-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
CID 13949560
5-Chloro-4-(phenylsulfonyl)-1,3-thiazol-2-amine
CID 676564
N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide
CID 11165755
4-[(4-Chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole
CID 47038679
4-(benzenesulfonylmethyl)-N-methyl-1,3-thiazol-2-amine
CID 72010885
Cambridge id 6203062
CID 838729
5-Chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine
CID 18775386
N-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 75462049

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine (CID 750249) is 4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine is Nc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine?
The InChIKey is YGITUXGUPOORQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c11-7-1-3-9(4-2-7)17(14,15)6-8-5-16-10(12)13-8/h1-5H,6H2,(H2,12,13).
What are the key properties of 4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine?
4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine has a molecular weight of 288.78 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 750249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).