[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone

C13H15N3OS — CID 124949823

IUPAC[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1cnc([C@@H]2CCCN2C(=O)c2ccsc2)[nH]1
InChIInChI=1S/C13H15N3OS/c1-9-7-14-12(15-9)11-3-2-5-16(11)13(17)10-4-6-18-8-10/h4,6-8,11H,2-3,5H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyCWZDSGUYYBXHNW-NSHDSACASA-N
MW261.35 g/mol
LogP2.76
Rot. Bonds2

About [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone

[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 124949823) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID124949823
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1cnc([C@@H]2CCCN2C(=O)c2ccsc2)[nH]1
InChIInChI=1S/C13H15N3OS/c1-9-7-14-12(15-9)11-3-2-5-16(11)13(17)10-4-6-18-8-10/h4,6-8,11H,2-3,5H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyCWZDSGUYYBXHNW-NSHDSACASA-N
XLogP2.76
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 124952372
[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 124946755
1,3-benzodioxol-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124976475
[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 125018773
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 94617936
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 73439663
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124945276
(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124978611
[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110104394
[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110104434
(1-ethylindol-3-yl)-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 155983463
[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 124940543

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 124949823) is [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is Cc1cnc([C@@H]2CCCN2C(=O)c2ccsc2)[nH]1.
What is the InChIKey of [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is CWZDSGUYYBXHNW-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-7-14-12(15-9)11-3-2-5-16(11)13(17)10-4-6-18-8-10/h4,6-8,11H,2-3,5H2,1H3,(H,14,15)/t11-/m0/s1.
What are the key properties of [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 261.35 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 124949823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).