1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine

C15H27N3S — CID 62764474

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCc1nc(N2CC(C)CC(C)C2)sc1CNC
InChIInChI=1S/C15H27N3S/c1-5-6-13-14(8-16-4)19-15(17-13)18-9-11(2)7-12(3)10-18/h11-12,16H,5-10H2,1-4H3
InChIKeyMLXUBUAAQIDQNS-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.30
Rot. Bonds5

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

1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 62764474) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID62764474
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCc1nc(N2CC(C)CC(C)C2)sc1CNC
InChIInChI=1S/C15H27N3S/c1-5-6-13-14(8-16-4)19-15(17-13)18-9-11(2)7-12(3)10-18/h11-12,16H,5-10H2,1-4H3
InChIKeyMLXUBUAAQIDQNS-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62764635
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107509522
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107509520
N-[[4-propyl-2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114540518
[2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol
CID 62780489
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103540376
1-[5-(ethylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464775
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62765485
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65322355
1-[4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63621900
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 104961227
N-[[2-(4-methylazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63627201

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 62764474) is 1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCCc1nc(N2CC(C)CC(C)C2)sc1CNC.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is MLXUBUAAQIDQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-6-13-14(8-16-4)19-15(17-13)18-9-11(2)7-12(3)10-18/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 281.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62764474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).