4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole

C10H16N2S — CID 164650982

IUPAC4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole
SMILESCc1ncsc1C1CCNCC1C
InChIInChI=1S/C10H16N2S/c1-7-5-11-4-3-9(7)10-8(2)12-6-13-10/h6-7,9,11H,3-5H2,1-2H3
InChIKeyXPCWSSSRUYULTH-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.16
Rot. Bonds1

About 4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole

4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole (PubChem CID 164650982) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole
PubChem CID164650982
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole
SMILESCc1ncsc1C1CCNCC1C
InChIInChI=1S/C10H16N2S/c1-7-5-11-4-3-9(7)10-8(2)12-6-13-10/h6-7,9,11H,3-5H2,1-2H3
InChIKeyXPCWSSSRUYULTH-UHFFFAOYSA-N
XLogP2.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole (CID 164650982) is 4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole is Cc1ncsc1C1CCNCC1C.
What is the InChIKey of 4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole?
The InChIKey is XPCWSSSRUYULTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7-5-11-4-3-9(7)10-8(2)12-6-13-10/h6-7,9,11H,3-5H2,1-2H3.
What are the key properties of 4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole?
4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole has a molecular weight of 196.32 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 164650982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).