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

C12H21N3S — CID 65169756

IUPAC4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CCCCN2C)sc1C
InChIInChI=1S/C12H21N3S/c1-9-10(2)16-12(14-9)13-8-11-6-4-5-7-15(11)3/h11H,4-8H2,1-3H3,(H,13,14)
InChIKeyJMJOTULNXXHRCB-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.66
Rot. Bonds3

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

4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 65169756) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID65169756
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CCCCN2C)sc1C
InChIInChI=1S/C12H21N3S/c1-9-10(2)16-12(14-9)13-8-11-6-4-5-7-15(11)3/h11H,4-8H2,1-3H3,(H,13,14)
InChIKeyJMJOTULNXXHRCB-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl 5-methyl-2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526634
4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine
CID 79400249
1-cyclohexyl-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565250
N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169706
N-(2-cyclopentylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169325
4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine
CID 106027180
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169165
methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 80571000
5-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 114138547
N-(2-cyclohexylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169326
4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65169595
3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 106028253

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine (CID 65169756) is 4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine is Cc1nc(NCC2CCCCN2C)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is JMJOTULNXXHRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-10(2)16-12(14-9)13-8-11-6-4-5-7-15(11)3/h11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65169756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).