[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C14H18N4OS — CID 124964372

IUPAC[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1cn(C)c([C@H]2CCN(C(=O)c3scnc3C)C2)n1
InChIInChI=1S/C14H18N4OS/c1-9-6-17(3)13(16-9)11-4-5-18(7-11)14(19)12-10(2)15-8-20-12/h6,8,11H,4-5,7H2,1-3H3/t11-/m0/s1
InChIKeyHXCMJKJLLRAGKM-NSHDSACASA-N
MW290.39 g/mol
LogP2.12
Rot. Bonds2

About [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 124964372) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID124964372
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1cn(C)c([C@H]2CCN(C(=O)c3scnc3C)C2)n1
InChIInChI=1S/C14H18N4OS/c1-9-6-17(3)13(16-9)11-4-5-18(7-11)14(19)12-10(2)15-8-20-12/h6,8,11H,4-5,7H2,1-3H3/t11-/m0/s1
InChIKeyHXCMJKJLLRAGKM-NSHDSACASA-N
XLogP2.12
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124964371
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125027185
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124944117
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124967024
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124964571
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 125022683
[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 110104793
2H-benzotriazol-5-yl-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124973256
[(3S)-3-[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124964276
[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 43589511
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 124971094
3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124950164

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 124964372) is [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1cn(C)c([C@H]2CCN(C(=O)c3scnc3C)C2)n1.
What is the InChIKey of [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is HXCMJKJLLRAGKM-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-6-17(3)13(16-9)11-4-5-18(7-11)14(19)12-10(2)15-8-20-12/h6,8,11H,4-5,7H2,1-3H3/t11-/m0/s1.
What are the key properties of [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124964372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).