N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide

C15H19N3O3S3 — CID 18093642

IUPACN-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(-c2csc(NC(=O)C3CCCN3S(C)(=O)=O)n2)c(C)s1
InChIInChI=1S/C15H19N3O3S3/c1-9-7-11(10(2)23-9)12-8-22-15(16-12)17-14(19)13-5-4-6-18(13)24(3,20)21/h7-8,13H,4-6H2,1-3H3,(H,16,17,19)
InChIKeyXOPUWVGLPMKQIV-UHFFFAOYSA-N
MW385.54 g/mol
LogP2.85
Rot. Bonds4

About N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide

N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 18093642) has the molecular formula C15H19N3O3S3 and a molecular weight of 385.54 g/mol. Its IUPAC name is N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID18093642
Molecular FormulaC15H19N3O3S3
Molecular Weight385.54 g/mol
Exact Mass385.06
IUPAC NameN-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(-c2csc(NC(=O)C3CCCN3S(C)(=O)=O)n2)c(C)s1
InChIInChI=1S/C15H19N3O3S3/c1-9-7-11(10(2)23-9)12-8-22-15(16-12)17-14(19)13-5-4-6-18(13)24(3,20)21/h7-8,13H,4-6H2,1-3H3,(H,16,17,19)
InChIKeyXOPUWVGLPMKQIV-UHFFFAOYSA-N
XLogP2.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376198
(2R)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32620349
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17436246
(2S)-1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 27376259
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17435413
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 46629066
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376221
(2R)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376218
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55777019
1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 43049397
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827505
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240990

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 18093642) is N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide is Cc1cc(-c2csc(NC(=O)C3CCCN3S(C)(=O)=O)n2)c(C)s1.
What is the InChIKey of N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is XOPUWVGLPMKQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S3/c1-9-7-11(10(2)23-9)12-8-22-15(16-12)17-14(19)13-5-4-6-18(13)24(3,20)21/h7-8,13H,4-6H2,1-3H3,(H,16,17,19).
What are the key properties of N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 385.54 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 18093642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).