N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide

C20H24N4O2S3 — CID 4701466

IUPACN,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(-c2csc(NN=Cc3cccs3)n2)c1
InChIInChI=1S/C20H24N4O2S3/c1-3-10-24(11-4-2)29(25,26)18-9-5-7-16(13-18)19-15-28-20(22-19)23-21-14-17-8-6-12-27-17/h5-9,12-15H,3-4,10-11H2,1-2H3,(H,22,23)
InChIKeyZQPXPRIGALZEBY-UHFFFAOYSA-N
MW448.64 g/mol
LogP5.13
Rot. Bonds10

About N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide

N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 4701466) has the molecular formula C20H24N4O2S3 and a molecular weight of 448.64 g/mol. Its IUPAC name is N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID4701466
Molecular FormulaC20H24N4O2S3
Molecular Weight448.64 g/mol
Exact Mass448.11
IUPAC NameN,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(-c2csc(NN=Cc3cccs3)n2)c1
InChIInChI=1S/C20H24N4O2S3/c1-3-10-24(11-4-2)29(25,26)18-9-5-7-16(13-18)19-15-28-20(22-19)23-21-14-17-8-6-12-27-17/h5-9,12-15H,3-4,10-11H2,1-2H3,(H,22,23)
InChIKeyZQPXPRIGALZEBY-UHFFFAOYSA-N
XLogP5.13
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.64
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide
CID 4701435
3-[2-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide
CID 4701568
3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide
CID 4701511
N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 4701560
3-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 135607789
4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 6308176
3-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 1400422
4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine
CID 5230382
N,N-diethyl-4-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 6276601
4-(2,4-dimethylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110537943
N-[(4-methylphenyl)methylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 4701516
4-[3-(azepan-1-ylsulfonyl)phenyl]-N-[(4-chlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 4701555

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide (CID 4701466) is N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide is CCCN(CCC)S(=O)(=O)c1cccc(-c2csc(NN=Cc3cccs3)n2)c1.
What is the InChIKey of N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is ZQPXPRIGALZEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S3/c1-3-10-24(11-4-2)29(25,26)18-9-5-7-16(13-18)19-15-28-20(22-19)23-21-14-17-8-6-12-27-17/h5-9,12-15H,3-4,10-11H2,1-2H3,(H,22,23).
What are the key properties of N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide?
N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 448.64 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 4701466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).