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

C15H27N3S — CID 62750048

IUPACN-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(N2CCCC(C)C2)nc1C
InChIInChI=1S/C15H27N3S/c1-5-8-16-12(3)14-13(4)17-15(19-14)18-9-6-7-11(2)10-18/h11-12,16H,5-10H2,1-4H3
InChIKeyGEURCJWCSKNBEH-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.75
Rot. Bonds5

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

N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 62750048) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID62750048
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(N2CCCC(C)C2)nc1C
InChIInChI=1S/C15H27N3S/c1-5-8-16-12(3)14-13(4)17-15(19-14)18-9-6-7-11(2)10-18/h11-12,16H,5-10H2,1-4H3
InChIKeyGEURCJWCSKNBEH-UHFFFAOYSA-N
XLogP3.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(azocan-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62750411
N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395785
N-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62750953
N-[1-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 107459734
N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 80610580
4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
CID 82427919
N-ethyl-1-[4-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 79933400
2-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetonitrile
CID 82427908
N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62754305
ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 55113434
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 55114053

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 62750048) is N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1sc(N2CCCC(C)C2)nc1C.
What is the InChIKey of N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is GEURCJWCSKNBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-8-16-12(3)14-13(4)17-15(19-14)18-9-6-7-11(2)10-18/h11-12,16H,5-10H2,1-4H3.
What are the key properties of N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62750048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).