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

C14H25N3S — CID 63754412

IUPAC1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1C(C)c1nc(C)sc1C
InChIInChI=1S/C14H25N3S/c1-10(14-11(2)18-12(3)16-14)17-8-6-5-7-13(17)9-15-4/h10,13,15H,5-9H2,1-4H3
InChIKeyYSPUXIQHBYCEGV-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.89
Rot. Bonds4

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

1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine (PubChem CID 63754412) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
PubChem CID63754412
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1C(C)c1nc(C)sc1C
InChIInChI=1S/C14H25N3S/c1-10(14-11(2)18-12(3)16-14)17-8-6-5-7-13(17)9-15-4/h10,13,15H,5-9H2,1-4H3
InChIKeyYSPUXIQHBYCEGV-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 114080437
1-[1-[1-(furan-2-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249658
N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 113285223
1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249282
N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine
CID 63249243
1-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249069
1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382529
1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 107355064
1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316021
N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
CID 63754604

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine (CID 63754412) is 1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1C(C)c1nc(C)sc1C.
What is the InChIKey of 1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine?
The InChIKey is YSPUXIQHBYCEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(14-11(2)18-12(3)16-14)17-8-6-5-7-13(17)9-15-4/h10,13,15H,5-9H2,1-4H3.
What are the key properties of 1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine?
1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63754412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).