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

C13H23N3S — CID 106042299

IUPACN,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
SMILESCNC1CCN(CCc2csc(C)n2)CC1C
InChIInChI=1S/C13H23N3S/c1-10-8-16(7-5-13(10)14-3)6-4-12-9-17-11(2)15-12/h9-10,13-14H,4-8H2,1-3H3
InChIKeyWEHBHXIISHVBHF-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.92
Rot. Bonds4

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

N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine (PubChem CID 106042299) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
PubChem CID106042299
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
SMILESCNC1CCN(CCc2csc(C)n2)CC1C
InChIInChI=1S/C13H23N3S/c1-10-8-16(7-5-13(10)14-3)6-4-12-9-17-11(2)15-12/h9-10,13-14H,4-8H2,1-3H3
InChIKeyWEHBHXIISHVBHF-UHFFFAOYSA-N
XLogP1.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63242579
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106033345
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 103880843
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 54976348
4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043577
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
N,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910883
4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 29256300
2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 106043488
8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106039600
(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine
CID 94244956

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine (CID 106042299) is N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine is CNC1CCN(CCc2csc(C)n2)CC1C.
What is the InChIKey of N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The InChIKey is WEHBHXIISHVBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10-8-16(7-5-13(10)14-3)6-4-12-9-17-11(2)15-12/h9-10,13-14H,4-8H2,1-3H3.
What are the key properties of N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 106042299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).