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

C17H31N3S — CID 62765485

IUPAC2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(N2CCC(C)CC2)sc1CNC(C)(C)C
InChIInChI=1S/C17H31N3S/c1-6-7-14-15(12-18-17(3,4)5)21-16(19-14)20-10-8-13(2)9-11-20/h13,18H,6-12H2,1-5H3
InChIKeyVSBYASPRAWBHPQ-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.22
Rot. Bonds5

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

2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62765485) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62765485
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(N2CCC(C)CC2)sc1CNC(C)(C)C
InChIInChI=1S/C17H31N3S/c1-6-7-14-15(12-18-17(3,4)5)21-16(19-14)20-10-8-13(2)9-11-20/h13,18H,6-12H2,1-5H3
InChIKeyVSBYASPRAWBHPQ-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79381277
[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117427
N-[[2-(4-methylazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63627201
N-[[4-ethyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763950
[2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62767664
N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114364609
5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 114364576
N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55112709
1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62764474
N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107509532
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62764635
5-[(tert-butylamino)methyl]-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766730

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62765485) is 2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CCCc1nc(N2CCC(C)CC2)sc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is VSBYASPRAWBHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-6-7-14-15(12-18-17(3,4)5)21-16(19-14)20-10-8-13(2)9-11-20/h13,18H,6-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62765485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).