N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine

C15H27N3S — CID 79183672

IUPACN-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(Cc2csc(CNC(C)(C)C)n2)CC1C
InChIInChI=1S/C15H27N3S/c1-11-7-18(8-12(11)2)9-13-10-19-14(17-13)6-16-15(3,4)5/h10-12,16H,6-9H2,1-5H3
InChIKeyRQZOLJDDOAOEIU-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.12
Rot. Bonds4

About N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79183672) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID79183672
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(Cc2csc(CNC(C)(C)C)n2)CC1C
InChIInChI=1S/C15H27N3S/c1-11-7-18(8-12(11)2)9-13-10-19-14(17-13)6-16-15(3,4)5/h10-12,16H,6-9H2,1-5H3
InChIKeyRQZOLJDDOAOEIU-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62437368
2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 55073122
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55070041
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98534340
2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83046678
1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909032
N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62411427
1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62462682
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62424646
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62427454
1-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63167181
2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 63208878

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 79183672) is N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is CC1CN(Cc2csc(CNC(C)(C)C)n2)CC1C.
What is the InChIKey of N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RQZOLJDDOAOEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11-7-18(8-12(11)2)9-13-10-19-14(17-13)6-16-15(3,4)5/h10-12,16H,6-9H2,1-5H3.
What are the key properties of N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79183672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).