N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine

C14H26N4S — CID 62767701

IUPACN,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine
SMILESCNCc1sc(N2CCC(CN(C)C)CC2)nc1C
InChIInChI=1S/C14H26N4S/c1-11-13(9-15-2)19-14(16-11)18-7-5-12(6-8-18)10-17(3)4/h12,15H,5-10H2,1-4H3
InChIKeyMKJWDZLIBRIHAG-UHFFFAOYSA-N
MW282.46 g/mol
LogP1.95
Rot. Bonds5

About N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine

N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine (PubChem CID 62767701) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine
PubChem CID62767701
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine
SMILESCNCc1sc(N2CCC(CN(C)C)CC2)nc1C
InChIInChI=1S/C14H26N4S/c1-11-13(9-15-2)19-14(16-11)18-7-5-12(6-8-18)10-17(3)4/h12,15H,5-10H2,1-4H3
InChIKeyMKJWDZLIBRIHAG-UHFFFAOYSA-N
XLogP1.95
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62764135
N-methyl-1-(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine
CID 62766044
N-methyl-1-[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 62769315
N-methyl-1-[4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62970042
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103503686
1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63518353
N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62780311
4-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 80687246
[2-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazol-5-yl]methanol
CID 63979536
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977521
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62768888
[4-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 63009952

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine (CID 62767701) is N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine is CNCc1sc(N2CCC(CN(C)C)CC2)nc1C.
What is the InChIKey of N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine?
The InChIKey is MKJWDZLIBRIHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-11-13(9-15-2)19-14(16-11)18-7-5-12(6-8-18)10-17(3)4/h12,15H,5-10H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine?
N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine has a molecular weight of 282.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 62767701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).