N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine

C13H23N3S — CID 113262455

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCc1nc(CNC2CCN(C)CC2C)sc1C
InChIInChI=1S/C13H23N3S/c1-9-8-16(4)6-5-12(9)14-7-13-15-10(2)11(3)17-13/h9,12,14H,5-8H2,1-4H3
InChIKeyLBEOKOKBQGKUSG-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.19
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 113262455) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine
PubChem CID113262455
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCc1nc(CNC2CCN(C)CC2C)sc1C
InChIInChI=1S/C13H23N3S/c1-9-8-16(4)6-5-12(9)14-7-13-15-10(2)11(3)17-13/h9,12,14H,5-8H2,1-4H3
InChIKeyLBEOKOKBQGKUSG-UHFFFAOYSA-N
XLogP2.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115712436
1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 115716903
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 114503529
1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115615393
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 79017994
N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 113260030
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115711165
2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
CID 115707421
1,3-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 104628452
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115622223
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 114503407
1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 114503443

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine (CID 113262455) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine is Cc1nc(CNC2CCN(C)CC2C)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is LBEOKOKBQGKUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9-8-16(4)6-5-12(9)14-7-13-15-10(2)11(3)17-13/h9,12,14H,5-8H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 113262455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).