3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide

C11H19N5O3S2 — CID 103365036

IUPAC3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCC(=O)N1CCCC1
InChIInChI=1S/C11H19N5O3S2/c1-15(2)21(18,19)9-10(12)14-20-11(9)13-7-8(17)16-5-3-4-6-16/h13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyTXSXXZUOEQTISS-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.01
Rot. Bonds5

About 3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide

3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide (PubChem CID 103365036) has the molecular formula C11H19N5O3S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide
PubChem CID103365036
Molecular FormulaC11H19N5O3S2
Molecular Weight333.44 g/mol
Exact Mass333.09
IUPAC Name3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCC(=O)N1CCCC1
InChIInChI=1S/C11H19N5O3S2/c1-15(2)21(18,19)9-10(12)14-20-11(9)13-7-8(17)16-5-3-4-6-16/h13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyTXSXXZUOEQTISS-UHFFFAOYSA-N
XLogP0.01
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103365033
3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103363380
3-amino-5-(2-cyclopentyloxyethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361701
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 106259011
3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103364216
3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide
CID 106044547
2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 113406465
3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide
CID 103364947
3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide
CID 103365285
3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide
CID 103359978
3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359254
3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103365194

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide (CID 103365036) is 3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1NCC(=O)N1CCCC1.
What is the InChIKey of 3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide?
The InChIKey is TXSXXZUOEQTISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S2/c1-15(2)21(18,19)9-10(12)14-20-11(9)13-7-8(17)16-5-3-4-6-16/h13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide has a molecular weight of 333.44 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103365036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).