4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide

C23H27N5O3S3 — CID 156739187

IUPAC4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide
SMILESCc1ncsc1C(=O)N1CCN(c2ccccc2NS(=O)c2ccc(S(=O)N(C)C)cc2)CC1
InChIInChI=1S/C23H27N5O3S3/c1-17-22(32-16-24-17)23(29)28-14-12-27(13-15-28)21-7-5-4-6-20(21)25-33(30)18-8-10-19(11-9-18)34(31)26(2)3/h4-11,16,25H,12-15H2,1-3H3
InChIKeyYODRVXOUMNMCQY-UHFFFAOYSA-N
MW517.70 g/mol
LogP3.13
Rot. Bonds7

About 4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide

4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide (PubChem CID 156739187) has the molecular formula C23H27N5O3S3 and a molecular weight of 517.70 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide
PubChem CID156739187
Molecular FormulaC23H27N5O3S3
Molecular Weight517.70 g/mol
Exact Mass517.13
IUPAC Name4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide
SMILESCc1ncsc1C(=O)N1CCN(c2ccccc2NS(=O)c2ccc(S(=O)N(C)C)cc2)CC1
InChIInChI=1S/C23H27N5O3S3/c1-17-22(32-16-24-17)23(29)28-14-12-27(13-15-28)21-7-5-4-6-20(21)25-33(30)18-8-10-19(11-9-18)34(31)26(2)3/h4-11,16,25H,12-15H2,1-3H3
InChIKeyYODRVXOUMNMCQY-UHFFFAOYSA-N
XLogP3.13
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.70
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide with MolForge

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Launch Full Analysis

Related Compounds

(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
tert-butyl 4-[2-[(3,5-dimethylphenyl)sulfinylamino]phenyl]piperazine-1-carboxylate
CID 156739186
(4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335319
4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide
CID 61130893
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95601881
(4-methyl-1,3-thiazol-5-yl)-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone
CID 90632899
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122246463
1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone
CID 59454370
[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 129477768
[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122346460
[4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 60957245
4-[2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]anilino]-N,N-dimethylbenzenesulfinamide
CID 145433226

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide (CID 156739187) is 4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide is Cc1ncsc1C(=O)N1CCN(c2ccccc2NS(=O)c2ccc(S(=O)N(C)C)cc2)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide?
The InChIKey is YODRVXOUMNMCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S3/c1-17-22(32-16-24-17)23(29)28-14-12-27(13-15-28)21-7-5-4-6-20(21)25-33(30)18-8-10-19(11-9-18)34(31)26(2)3/h4-11,16,25H,12-15H2,1-3H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide?
4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide has a molecular weight of 517.70 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]benzene-1,4-disulfinamide is sourced from PubChem (CID 156739187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).