2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole

C10H16N2S — CID 5019947

IUPAC2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C10H16N2S/c1-9-11-10(8-13-9)7-12-5-3-2-4-6-12/h8H,2-7H2,1H3
InChIKeyWMNWJJGONMPIRP-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.44
Rot. Bonds2

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

2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole (PubChem CID 5019947) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole
PubChem CID5019947
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C10H16N2S/c1-9-11-10(8-13-9)7-12-5-3-2-4-6-12/h8H,2-7H2,1H3
InChIKeyWMNWJJGONMPIRP-UHFFFAOYSA-N
XLogP2.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole (CID 5019947) is 2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole is Cc1nc(CN2CCCCC2)cs1.
What is the InChIKey of 2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is WMNWJJGONMPIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-9-11-10(8-13-9)7-12-5-3-2-4-6-12/h8H,2-7H2,1H3.
What are the key properties of 2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole?
2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 196.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 5019947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).