[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

C10H15N3OS — CID 63263187

IUPAC[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCNCC1CCN(C(=O)c2cscn2)C1
InChIInChI=1S/C10H15N3OS/c1-11-4-8-2-3-13(5-8)10(14)9-6-15-7-12-9/h6-8,11H,2-5H2,1H3
InChIKeyFRUOPIMNWLCXRN-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.82
Rot. Bonds3

About [3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 63263187) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is [3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID63263187
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCNCC1CCN(C(=O)c2cscn2)C1
InChIInChI=1S/C10H15N3OS/c1-11-4-8-2-3-13(5-8)10(14)9-6-15-7-12-9/h6-8,11H,2-5H2,1H3
InChIKeyFRUOPIMNWLCXRN-UHFFFAOYSA-N
XLogP0.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 115667248
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
CID 55142865
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 63264092
(5-bromo-2-pyridinyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540200
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 125146059
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809
methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 78925984
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 166613031
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119649080
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 119105527
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 63263187) is [3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is CNCC1CCN(C(=O)c2cscn2)C1.
What is the InChIKey of [3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is FRUOPIMNWLCXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-11-4-8-2-3-13(5-8)10(14)9-6-15-7-12-9/h6-8,11H,2-5H2,1H3.
What are the key properties of [3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 225.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 63263187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).