N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide

C14H19N3O2S2 — CID 9343639

IUPACN,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(NC)n2)cc1
InChIInChI=1S/C14H19N3O2S2/c1-4-17(5-2)21(18,19)12-8-6-11(7-9-12)13-10-20-14(15-3)16-13/h6-10H,4-5H2,1-3H3,(H,15,16)
InChIKeyYBDOZHPCOQTYOQ-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.88
Rot. Bonds6

About N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide

N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 9343639) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID9343639
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(NC)n2)cc1
InChIInChI=1S/C14H19N3O2S2/c1-4-17(5-2)21(18,19)12-8-6-11(7-9-12)13-10-20-14(15-3)16-13/h6-10H,4-5H2,1-3H3,(H,15,16)
InChIKeyYBDOZHPCOQTYOQ-UHFFFAOYSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 9343482
N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 70680664
4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 998509
2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 100800918
N,N-diethyl-4-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 6276601
N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide
CID 8750581
4-(diethylsulfamoyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3385540
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-[2-[ethyl-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]cyclopropane-1-carboxamide
CID 123186166
4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4100899
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 17405572

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide (CID 9343639) is N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2csc(NC)n2)cc1.
What is the InChIKey of N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is YBDOZHPCOQTYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-4-17(5-2)21(18,19)12-8-6-11(7-9-12)13-10-20-14(15-3)16-13/h6-10H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 9343639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).