4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide

C19H28N4O3S2 — CID 165424235

IUPAC4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide
SMILESCOCCNc1nc(C2(c3ccccc3)CCN(S(=O)(=O)N(C)C)CC2)cs1
InChIInChI=1S/C19H28N4O3S2/c1-22(2)28(24,25)23-12-9-19(10-13-23,16-7-5-4-6-8-16)17-15-27-18(21-17)20-11-14-26-3/h4-8,15H,9-14H2,1-3H3,(H,20,21)
InChIKeyITXOSFKQIAADQE-UHFFFAOYSA-N
MW424.59 g/mol
LogP2.39
Rot. Bonds8

About 4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide

4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide (PubChem CID 165424235) has the molecular formula C19H28N4O3S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide
PubChem CID165424235
Molecular FormulaC19H28N4O3S2
Molecular Weight424.59 g/mol
Exact Mass424.16
IUPAC Name4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide
SMILESCOCCNc1nc(C2(c3ccccc3)CCN(S(=O)(=O)N(C)C)CC2)cs1
InChIInChI=1S/C19H28N4O3S2/c1-22(2)28(24,25)23-12-9-19(10-13-23,16-7-5-4-6-8-16)17-15-27-18(21-17)20-11-14-26-3/h4-8,15H,9-14H2,1-3H3,(H,20,21)
InChIKeyITXOSFKQIAADQE-UHFFFAOYSA-N
XLogP2.39
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 3223616
4-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-piperazine-1-carbothioic acid (3-methoxy-propyl)-amide
CID 3223617
N-(2-methoxyethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 3223632
4-(4-Phenyl-thiazol-2-yl)-piperazine-1-carbothioic acid (3-methoxy-propyl)-amide
CID 3223633
4-Morpholinepropanamine, N-(4-phenyl-2-thiazolyl)-, dihydrochloride
CID 3088631
4-(4-Phenyl-thiazol-2-yl)-piperazine-1-carbothioic acid (3-ethoxy-propyl)-amide
CID 3223634
N-(3-morpholin-4-ylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 3223638
N-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 8004471
4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962170
4-[2-(2-Methoxyethylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 53559935
4-(1-Phenylethyl)-2-piperazin-1-yl-1,3-thiazole
CID 3056219
4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 20628038

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide?
The IUPAC name of 4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide (CID 165424235) is 4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide is COCCNc1nc(C2(c3ccccc3)CCN(S(=O)(=O)N(C)C)CC2)cs1.
What is the InChIKey of 4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide?
The InChIKey is ITXOSFKQIAADQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S2/c1-22(2)28(24,25)23-12-9-19(10-13-23,16-7-5-4-6-8-16)17-15-27-18(21-17)20-11-14-26-3/h4-8,15H,9-14H2,1-3H3,(H,20,21).
What are the key properties of 4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide?
4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide has a molecular weight of 424.59 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide is sourced from PubChem (CID 165424235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).