2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide

C15H20N4O2S2 — CID 133473240

IUPAC2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide
SMILESCC1CN(Cc2ccccc2)CC1Nc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C15H20N4O2S2/c1-11-8-19(9-12-5-3-2-4-6-12)10-13(11)18-15-17-7-14(22-15)23(16,20)21/h2-7,11,13H,8-10H2,1H3,(H,17,18)(H2,16,20,21)
InChIKeyDEODZMYSSTVIGN-UHFFFAOYSA-N
MW352.49 g/mol
LogP1.72
Rot. Bonds5

About 2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide

2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide (PubChem CID 133473240) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide
PubChem CID133473240
Molecular FormulaC15H20N4O2S2
Molecular Weight352.49 g/mol
Exact Mass352.10
IUPAC Name2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide
SMILESCC1CN(Cc2ccccc2)CC1Nc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C15H20N4O2S2/c1-11-8-19(9-12-5-3-2-4-6-12)10-13(11)18-15-17-7-14(22-15)23(16,20)21/h2-7,11,13H,8-10H2,1H3,(H,17,18)(H2,16,20,21)
InChIKeyDEODZMYSSTVIGN-UHFFFAOYSA-N
XLogP1.72
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine
CID 130855413
N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133473212
N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine
CID 133473298
N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine
CID 130908937
1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
CID 133473353
6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide
CID 133473284
2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide
CID 133293266
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133473317
(4S)-1-benzyl-N-[2-chloro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
CID 162250420
N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133473329
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide (CID 133473240) is 2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide is CC1CN(Cc2ccccc2)CC1Nc1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide?
The InChIKey is DEODZMYSSTVIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-11-8-19(9-12-5-3-2-4-6-12)10-13(11)18-15-17-7-14(22-15)23(16,20)21/h2-7,11,13H,8-10H2,1H3,(H,17,18)(H2,16,20,21).
What are the key properties of 2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide?
2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide has a molecular weight of 352.49 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133473240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).