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

C12H21N3S — CID 103729894

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylpiperidin-4-amine
SMILESCCc1cnc(CNC2CCN(C)CC2)s1
InChIInChI=1S/C12H21N3S/c1-3-11-8-14-12(16-11)9-13-10-4-6-15(2)7-5-10/h8,10,13H,3-7,9H2,1-2H3
InChIKeyYGIDMIJTLURRRP-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.89
Rot. Bonds4

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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylpiperidin-4-amine (PubChem CID 103729894) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylpiperidin-4-amine
PubChem CID103729894
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylpiperidin-4-amine
SMILESCCc1cnc(CNC2CCN(C)CC2)s1
InChIInChI=1S/C12H21N3S/c1-3-11-8-14-12(16-11)9-13-10-4-6-15(2)7-5-10/h8,10,13H,3-7,9H2,1-2H3
InChIKeyYGIDMIJTLURRRP-UHFFFAOYSA-N
XLogP1.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine
CID 52319808
[(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
1-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 43558941
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 71997188
1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 97232904

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylpiperidin-4-amine (CID 103729894) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylpiperidin-4-amine is CCc1cnc(CNC2CCN(C)CC2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is YGIDMIJTLURRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-11-8-14-12(16-11)9-13-10-4-6-15(2)7-5-10/h8,10,13H,3-7,9H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylpiperidin-4-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 239.39 g/mol, XLogP of 1.89, 4 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-methylpiperidin-4-amine is sourced from PubChem (CID 103729894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).