2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole

C11H18N2S — CID 105464466

IUPAC2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole
SMILESCc1nc(CC2CCNCC2)c(C)s1
InChIInChI=1S/C11H18N2S/c1-8-11(13-9(2)14-8)7-10-3-5-12-6-4-10/h10,12H,3-7H2,1-2H3
InChIKeyRDROIJJVDRHWMW-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.30
Rot. Bonds2

About 2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole

2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole (PubChem CID 105464466) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole
PubChem CID105464466
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole
SMILESCc1nc(CC2CCNCC2)c(C)s1
InChIInChI=1S/C11H18N2S/c1-8-11(13-9(2)14-8)7-10-3-5-12-6-4-10/h10,12H,3-7H2,1-2H3
InChIKeyRDROIJJVDRHWMW-UHFFFAOYSA-N
XLogP2.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116829012
5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 84803170
4-[(5-methylthiophen-2-yl)methyl]piperidine
CID 83685814
5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole
CID 84638397
5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105440268
2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885178
4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine
CID 82513380
4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]azepane
CID 84676351
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol
CID 84736991
2,5-dimethyl-4-[(5-piperidin-4-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole;hydrochloride
CID 154905834
4-[(4,6-dimethylpyrimidin-2-yl)methyl]azepane
CID 84685067
2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine
CID 104605510

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole (CID 105464466) is 2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole is Cc1nc(CC2CCNCC2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole?
The InChIKey is RDROIJJVDRHWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-11(13-9(2)14-8)7-10-3-5-12-6-4-10/h10,12H,3-7H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole?
2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole has a molecular weight of 210.35 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 105464466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).