2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide

C13H15ClN2O2S3 — CID 60744551

IUPAC2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCSc1ccc(CN(C)S(=O)(=O)c2sc(Cl)nc2C)cc1
InChIInChI=1S/C13H15ClN2O2S3/c1-9-12(20-13(14)15-9)21(17,18)16(2)8-10-4-6-11(19-3)7-5-10/h4-7H,8H2,1-3H3
InChIKeyRUVIDIJOHYUSOW-UHFFFAOYSA-N
MW362.93 g/mol
LogP3.65
Rot. Bonds5

About 2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide

2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 60744551) has the molecular formula C13H15ClN2O2S3 and a molecular weight of 362.93 g/mol. Its IUPAC name is 2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID60744551
Molecular FormulaC13H15ClN2O2S3
Molecular Weight362.93 g/mol
Exact Mass362.00
IUPAC Name2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCSc1ccc(CN(C)S(=O)(=O)c2sc(Cl)nc2C)cc1
InChIInChI=1S/C13H15ClN2O2S3/c1-9-12(20-13(14)15-9)21(17,18)16(2)8-10-4-6-11(19-3)7-5-10/h4-7H,8H2,1-3H3
InChIKeyRUVIDIJOHYUSOW-UHFFFAOYSA-N
XLogP3.65
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide (CID 60744551) is 2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide is CSc1ccc(CN(C)S(=O)(=O)c2sc(Cl)nc2C)cc1.
What is the InChIKey of 2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is RUVIDIJOHYUSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S3/c1-9-12(20-13(14)15-9)21(17,18)16(2)8-10-4-6-11(19-3)7-5-10/h4-7H,8H2,1-3H3.
What are the key properties of 2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 362.93 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60744551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).