N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine

C16H21N3S — CID 99943025

IUPACN-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCN(Cc1cscn1)C[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C16H21N3S/c1-18(11-15-12-20-13-17-15)9-14-7-8-19(10-14)16-5-3-2-4-6-16/h2-6,12-14H,7-11H2,1H3/t14-/m1/s1
InChIKeyNLAWQJHYWYRTEH-CQSZACIVSA-N
MW287.43 g/mol
LogP3.10
Rot. Bonds5

About N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine

N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 99943025) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID99943025
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCN(Cc1cscn1)C[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C16H21N3S/c1-18(11-15-12-20-13-17-15)9-14-7-8-19(10-14)16-5-3-2-4-6-16/h2-6,12-14H,7-11H2,1H3/t14-/m1/s1
InChIKeyNLAWQJHYWYRTEH-CQSZACIVSA-N
XLogP3.10
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 99929262
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 124756986
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride
CID 154892757
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135114283
N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine
CID 134696967
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 135115058
1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 124568392
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 135092750
N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 131906546
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
N-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 106741005

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 99943025) is N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine is CN(Cc1cscn1)C[C@H]1CCN(c2ccccc2)C1.
What is the InChIKey of N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is NLAWQJHYWYRTEH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3S/c1-18(11-15-12-20-13-17-15)9-14-7-8-19(10-14)16-5-3-2-4-6-16/h2-6,12-14H,7-11H2,1H3/t14-/m1/s1.
What are the key properties of N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 287.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 99943025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).