1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine

C16H29N3S — CID 63161251

IUPAC1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(N2CCC(CC)(CC)CC2)sc1CNC
InChIInChI=1S/C16H29N3S/c1-5-13-14(12-17-4)20-15(18-13)19-10-8-16(6-2,7-3)9-11-19/h17H,5-12H2,1-4H3
InChIKeyMVURGUJHTGMFSX-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.83
Rot. Bonds6

About 1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 63161251) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID63161251
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(N2CCC(CC)(CC)CC2)sc1CNC
InChIInChI=1S/C16H29N3S/c1-5-13-14(12-17-4)20-15(18-13)19-10-8-16(6-2,7-3)9-11-19/h17H,5-12H2,1-4H3
InChIKeyMVURGUJHTGMFSX-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 62764992
1-[4-ethyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 55117606
[2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 63161595
1-[4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63621900
1-[2-(4-cyclopropylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510256
2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile
CID 82430941
N-[[2-(azepan-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62765034
[4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63161163
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510302
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 62765156
N-[[4-ethyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763950
[4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63917608

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 63161251) is 1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(N2CCC(CC)(CC)CC2)sc1CNC.
What is the InChIKey of 1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is MVURGUJHTGMFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-13-14(12-17-4)20-15(18-13)19-10-8-16(6-2,7-3)9-11-19/h17H,5-12H2,1-4H3.
What are the key properties of 1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 295.50 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 63161251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).