[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone

C17H21N5OS — CID 129427496

IUPAC[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C17H21N5OS/c1-21-9-2-5-12(21)13-6-3-10-22(13)17(23)14-11-20-16(24-14)15-18-7-4-8-19-15/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3/t12-,13-/m1/s1
InChIKeyBUVXPNOLLVFQOY-CHWSQXEVSA-N
MW343.46 g/mol
LogP2.30
Rot. Bonds3

About [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone

[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 129427496) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID129427496
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C17H21N5OS/c1-21-9-2-5-12(21)13-6-3-10-22(13)17(23)14-11-20-16(24-14)15-18-7-4-8-19-15/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3/t12-,13-/m1/s1
InChIKeyBUVXPNOLLVFQOY-CHWSQXEVSA-N
XLogP2.30
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122159680
N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 128533423
(3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427472
2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119449848
(1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95339680
[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 99589826
[4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119644496
(3S)-2-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125153926
(2-bromophenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95334489
5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 167804825
[(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 94637457

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone (CID 129427496) is [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone is CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnc(-c2ncccn2)s1.
What is the InChIKey of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is BUVXPNOLLVFQOY-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-21-9-2-5-12(21)13-6-3-10-22(13)17(23)14-11-20-16(24-14)15-18-7-4-8-19-15/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 343.46 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 129427496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).