N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine

C15H25N3OS — CID 164634573

IUPACN-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCOC[C@@]1(C)CCN(Cc2csc(N(C)C3CC3)n2)C1
InChIInChI=1S/C15H25N3OS/c1-15(11-19-3)6-7-18(10-15)8-12-9-20-14(16-12)17(2)13-4-5-13/h9,13H,4-8,10-11H2,1-3H3/t15-/m0/s1
InChIKeyMJGOHNZYJKETKI-HNNXBMFYSA-N
MW295.45 g/mol
LogP2.60
Rot. Bonds6

About N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine

N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 164634573) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID164634573
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCOC[C@@]1(C)CCN(Cc2csc(N(C)C3CC3)n2)C1
InChIInChI=1S/C15H25N3OS/c1-15(11-19-3)6-7-18(10-15)8-12-9-20-14(16-12)17(2)13-4-5-13/h9,13H,4-8,10-11H2,1-3H3/t15-/m0/s1
InChIKeyMJGOHNZYJKETKI-HNNXBMFYSA-N
XLogP2.60
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine (CID 164634573) is N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine is COC[C@@]1(C)CCN(Cc2csc(N(C)C3CC3)n2)C1.
What is the InChIKey of N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is MJGOHNZYJKETKI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-15(11-19-3)6-7-18(10-15)8-12-9-20-14(16-12)17(2)13-4-5-13/h9,13H,4-8,10-11H2,1-3H3/t15-/m0/s1.
What are the key properties of N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 295.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 164634573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).