N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine

C15H27N3S — CID 103787014

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCCc1cnc(CNC2CCN(CC(C)C)CC2)s1
InChIInChI=1S/C15H27N3S/c1-4-14-9-17-15(19-14)10-16-13-5-7-18(8-6-13)11-12(2)3/h9,12-13,16H,4-8,10-11H2,1-3H3
InChIKeyDGBTZCCTGYLTTH-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.92
Rot. Bonds6

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 103787014) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine
PubChem CID103787014
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCCc1cnc(CNC2CCN(CC(C)C)CC2)s1
InChIInChI=1S/C15H27N3S/c1-4-14-9-17-15(19-14)10-16-13-5-7-18(8-6-13)11-12(2)3/h9,12-13,16H,4-8,10-11H2,1-3H3
InChIKeyDGBTZCCTGYLTTH-UHFFFAOYSA-N
XLogP2.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
N-[(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropyl]piperidin-4-amine
CID 89514841
2-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274393
(5-Ethyl-1,3-thiazol-2-yl)methanamine
CID 24274391
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 24278428
4-(5-Methyl-1,3-thiazol-2-yl)piperidine
CID 62651152
1-(1-Cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
CID 71862982
1-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274392
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 71997188
1-cyclopropyl-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 75376608
1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 97232904
4-[[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]amino]butanenitrile
CID 97877901

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine (CID 103787014) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine is CCc1cnc(CNC2CCN(CC(C)C)CC2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is DGBTZCCTGYLTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-14-9-17-15(19-14)10-16-13-5-7-18(8-6-13)11-12(2)3/h9,12-13,16H,4-8,10-11H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 281.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 103787014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).