4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine

C12H21N3S — CID 82513380

IUPAC4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCCC2CCNCC2)sc1C
InChIInChI=1S/C12H21N3S/c1-9-10(2)16-12(15-9)14-8-5-11-3-6-13-7-4-11/h11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyVGCFLOMEEZPQAR-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.56
Rot. Bonds4

About 4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine

4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine (PubChem CID 82513380) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine
PubChem CID82513380
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCCC2CCNCC2)sc1C
InChIInChI=1S/C12H21N3S/c1-9-10(2)16-12(15-9)14-8-5-11-3-6-13-7-4-11/h11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyVGCFLOMEEZPQAR-UHFFFAOYSA-N
XLogP2.56
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169325
N-(2-cyclohexylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169326
N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 115691858
3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine
CID 83839875
4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine
CID 65168897
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
5-methyl-N-(2-piperidin-4-ylethyl)pyrimidin-2-amine
CID 116975989
4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65169595
3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65276112
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol
CID 84736991
3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol
CID 66005707
6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid
CID 65284896

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine (CID 82513380) is 4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine is Cc1nc(NCCC2CCNCC2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is VGCFLOMEEZPQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-10(2)16-12(15-9)14-8-5-11-3-6-13-7-4-11/h11,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine?
4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82513380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).