N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide

C14H17N3O2S2 — CID 17405572

IUPACN,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESC=CCNc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1
InChIInChI=1S/C14H17N3O2S2/c1-4-9-15-14-16-13(10-20-14)11-5-7-12(8-6-11)21(18,19)17(2)3/h4-8,10H,1,9H2,2-3H3,(H,15,16)
InChIKeyYBLPHSYZJFBILK-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.66
Rot. Bonds6

About N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide

N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 17405572) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID17405572
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESC=CCNc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1
InChIInChI=1S/C14H17N3O2S2/c1-4-9-15-14-16-13(10-20-14)11-5-7-12(8-6-11)21(18,19)17(2)3/h4-8,10H,1,9H2,2-3H3,(H,15,16)
InChIKeyYBLPHSYZJFBILK-UHFFFAOYSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 8961871
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 58911132
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665
N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 9343482
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 9343639
2-(2-chlorophenyl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55661964
N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 58910466
2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 78868548
(E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 55661997
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 17012865
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 55661935

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide (CID 17405572) is N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide is C=CCNc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1.
What is the InChIKey of N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is YBLPHSYZJFBILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-4-9-15-14-16-13(10-20-14)11-5-7-12(8-6-11)21(18,19)17(2)3/h4-8,10H,1,9H2,2-3H3,(H,15,16).
What are the key properties of N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 17405572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).