2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide

C19H28N4O3S2 — CID 53115028

IUPAC2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)N3CCCC3)c(C)n2C)nc1C
InChIInChI=1S/C19H28N4O3S2/c1-6-22(7-2)19(24)17-13(3)20-18(27-17)15-12-16(14(4)21(15)5)28(25,26)23-10-8-9-11-23/h12H,6-11H2,1-5H3
InChIKeyDMCJLKCGGLPDCQ-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.03
Rot. Bonds6

About 2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide

2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53115028) has the molecular formula C19H28N4O3S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53115028
Molecular FormulaC19H28N4O3S2
Molecular Weight424.59 g/mol
Exact Mass424.16
IUPAC Name2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)N3CCCC3)c(C)n2C)nc1C
InChIInChI=1S/C19H28N4O3S2/c1-6-22(7-2)19(24)17-13(3)20-18(27-17)15-12-16(14(4)21(15)5)28(25,26)23-10-8-9-11-23/h12H,6-11H2,1-5H3
InChIKeyDMCJLKCGGLPDCQ-UHFFFAOYSA-N
XLogP3.03
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 53115034
azepan-1-yl-[2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 53114912
2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 53115032
[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 53031474
N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53115047
[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 53031478
5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-ethyl-1,2-dimethylpyrrole-3-sulfonamide
CID 53114923
[2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 93061503
N-butan-2-yl-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114727
[2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 95086900
[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53114974
N-(2,6-dimethylphenyl)-1,2-dimethyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114958

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 53115028) is 2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide is CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)N3CCCC3)c(C)n2C)nc1C.
What is the InChIKey of 2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DMCJLKCGGLPDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S2/c1-6-22(7-2)19(24)17-13(3)20-18(27-17)15-12-16(14(4)21(15)5)28(25,26)23-10-8-9-11-23/h12H,6-11H2,1-5H3.
What are the key properties of 2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53115028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).