2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine

C16H29N3S — CID 82427485

IUPAC2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCc1nc(CN2CCCC(C)C2)sc1CNCC(C)C
InChIInChI=1S/C16H29N3S/c1-12(2)8-17-9-15-14(4)18-16(20-15)11-19-7-5-6-13(3)10-19/h12-13,17H,5-11H2,1-4H3
InChIKeyZALOXMZAHPIRLX-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.43
Rot. Bonds6

About 2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine

2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 82427485) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID82427485
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCc1nc(CN2CCCC(C)C2)sc1CNCC(C)C
InChIInChI=1S/C16H29N3S/c1-12(2)8-17-9-15-14(4)18-16(20-15)11-19-7-5-6-13(3)10-19/h12-13,17H,5-11H2,1-4H3
InChIKeyZALOXMZAHPIRLX-UHFFFAOYSA-N
XLogP3.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427509
[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427494
2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427637
N-[[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82430524
N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82435281
2-methyl-N-[[2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424993
N-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65144559
2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62404624
N-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82427431
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 79935765
N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62767813
[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82437638

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 82427485) is 2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine is Cc1nc(CN2CCCC(C)C2)sc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is ZALOXMZAHPIRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-12(2)8-17-9-15-14(4)18-16(20-15)11-19-7-5-6-13(3)10-19/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 295.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 82427485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).