N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

C14H25N3S — CID 113364654

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCC2(C)CCN(C)CC2)cs1
InChIInChI=1S/C14H25N3S/c1-11(13-9-18-12(2)16-13)15-10-14(3)5-7-17(4)8-6-14/h9,11,15H,5-8,10H2,1-4H3
InChIKeyQXWYMIHIQMLPTG-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.83
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 113364654) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID113364654
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCC2(C)CCN(C)CC2)cs1
InChIInChI=1S/C14H25N3S/c1-11(13-9-18-12(2)16-13)15-10-14(3)5-7-17(4)8-6-14/h9,11,15H,5-8,10H2,1-4H3
InChIKeyQXWYMIHIQMLPTG-UHFFFAOYSA-N
XLogP2.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
4-(Piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole
CID 53523916
1-(4-Tert-butyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4016996
4-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 23404938
4-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261827
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 53512876
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56721252
1-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]piperazine
CID 28750248
3-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261805
3-(4-(Propan-2-yl)-1,3-thiazol-2-yl)piperidine
CID 24261806
[1-(4-Tert-butyl-1,3-thiazol-2-yl)ethyl](methyl)amine dihydrochloride
CID 165871757

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 113364654) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(C)NCC2(C)CCN(C)CC2)cs1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is QXWYMIHIQMLPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(13-9-18-12(2)16-13)15-10-14(3)5-7-17(4)8-6-14/h9,11,15H,5-8,10H2,1-4H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 113364654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).