[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone

C18H24N4OS — CID 95306572

IUPAC[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
SMILESCc1nc(-c2c[nH]c(C(=O)N3CCC[C@@H]3[C@H]3CCCN3C)c2)cs1
InChIInChI=1S/C18H24N4OS/c1-12-20-15(11-24-12)13-9-14(19-10-13)18(23)22-8-4-6-17(22)16-5-3-7-21(16)2/h9-11,16-17,19H,3-8H2,1-2H3/t16-,17-/m1/s1
InChIKeyGGXQQYPXFDOHAG-IAGOWNOFSA-N
MW344.48 g/mol
LogP3.15
Rot. Bonds3

About [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone

[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone (PubChem CID 95306572) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
PubChem CID95306572
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
SMILESCc1nc(-c2c[nH]c(C(=O)N3CCC[C@@H]3[C@H]3CCCN3C)c2)cs1
InChIInChI=1S/C18H24N4OS/c1-12-20-15(11-24-12)13-9-14(19-10-13)18(23)22-8-4-6-17(22)16-5-3-7-21(16)2/h9-11,16-17,19H,3-8H2,1-2H3/t16-,17-/m1/s1
InChIKeyGGXQQYPXFDOHAG-IAGOWNOFSA-N
XLogP3.15
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone with MolForge

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Related Compounds

[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 61410786
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95328917
(3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 43393894
1-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbonyl]piperidine-3-carboxylic acid
CID 16780162
[3-(hydroxymethyl)piperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 43422248
(2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride
CID 119470551
(4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 114679778
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 94173368
4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 119450224
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 35815183
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride
CID 120657233
N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 100851865

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone?
The IUPAC name of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone (CID 95306572) is [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone.
What is the SMILES notation for [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone?
The canonical SMILES for [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone is Cc1nc(-c2c[nH]c(C(=O)N3CCC[C@@H]3[C@H]3CCCN3C)c2)cs1.
What is the InChIKey of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone?
The InChIKey is GGXQQYPXFDOHAG-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-12-20-15(11-24-12)13-9-14(19-10-13)18(23)22-8-4-6-17(22)16-5-3-7-21(16)2/h9-11,16-17,19H,3-8H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone?
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone has a molecular weight of 344.48 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone is sourced from PubChem (CID 95306572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).