(4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

C17H25N3O2S — CID 95325679

IUPAC(4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(C(=O)N2CSC[C@H]2C(=O)N(C)C)c(C)n1CC1CC1
InChIInChI=1S/C17H25N3O2S/c1-11-7-14(12(2)19(11)8-13-5-6-13)16(21)20-10-23-9-15(20)17(22)18(3)4/h7,13,15H,5-6,8-10H2,1-4H3/t15-/m0/s1
InChIKeyFJAIIXUDEYSPGE-HNNXBMFYSA-N
MW335.47 g/mol
LogP2.12
Rot. Bonds4

About (4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

(4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 95325679) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID95325679
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(C(=O)N2CSC[C@H]2C(=O)N(C)C)c(C)n1CC1CC1
InChIInChI=1S/C17H25N3O2S/c1-11-7-14(12(2)19(11)8-13-5-6-13)16(21)20-10-23-9-15(20)17(22)18(3)4/h7,13,15H,5-6,8-10H2,1-4H3/t15-/m0/s1
InChIKeyFJAIIXUDEYSPGE-HNNXBMFYSA-N
XLogP2.12
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

2,5-dimethyl-1-(thiolan-3-ylmethyl)pyrrole-3-carboxylic acid
CID 107295139
2-bromo-1-[1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]propan-1-one
CID 116791196
N,N-dimethyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 136518419
2-bromo-1-[1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]butan-1-one
CID 116791195
3-(1-benzothiophene-2-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 71879816
[1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56779470
ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate
CID 20917621
ethyl 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 90379201
(4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95174309
3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24692471
2-chloro-1-[1-(cyclopentylmethyl)-2,5-dimethylpyrrol-3-yl]propan-1-one
CID 43371272
3-[3-(furan-3-yl)benzoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 75434211

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (CID 95325679) is (4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is Cc1cc(C(=O)N2CSC[C@H]2C(=O)N(C)C)c(C)n1CC1CC1.
What is the InChIKey of (4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is FJAIIXUDEYSPGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-11-7-14(12(2)19(11)8-13-5-6-13)16(21)20-10-23-9-15(20)17(22)18(3)4/h7,13,15H,5-6,8-10H2,1-4H3/t15-/m0/s1.
What are the key properties of (4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
(4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95325679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).