[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone

C14H23N3OS — CID 164641471

IUPAC[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)Cc1nc(C(=O)N2CC[C@](C)(CN)C2)cs1
InChIInChI=1S/C14H23N3OS/c1-10(2)6-12-16-11(7-19-12)13(18)17-5-4-14(3,8-15)9-17/h7,10H,4-6,8-9,15H2,1-3H3/t14-/m1/s1
InChIKeyOCCLXPWIMAROGU-CQSZACIVSA-N
MW281.43 g/mol
LogP2.15
Rot. Bonds4

About [(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone

[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone (PubChem CID 164641471) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is [(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
PubChem CID164641471
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)Cc1nc(C(=O)N2CC[C@](C)(CN)C2)cs1
InChIInChI=1S/C14H23N3OS/c1-10(2)6-12-16-11(7-19-12)13(18)17-5-4-14(3,8-15)9-17/h7,10H,4-6,8-9,15H2,1-3H3/t14-/m1/s1
InChIKeyOCCLXPWIMAROGU-CQSZACIVSA-N
XLogP2.15
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone (CID 164641471) is [(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone is CC(C)Cc1nc(C(=O)N2CC[C@](C)(CN)C2)cs1.
What is the InChIKey of [(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is OCCLXPWIMAROGU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10(2)6-12-16-11(7-19-12)13(18)17-5-4-14(3,8-15)9-17/h7,10H,4-6,8-9,15H2,1-3H3/t14-/m1/s1.
What are the key properties of [(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 281.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 164641471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).