5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole

C14H19N3S2 — CID 110114359

IUPAC5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESCc1cnc(C2(C)CCN(Cc3cscn3)CC2)s1
InChIInChI=1S/C14H19N3S2/c1-11-7-15-13(19-11)14(2)3-5-17(6-4-14)8-12-9-18-10-16-12/h7,9-10H,3-6,8H2,1-2H3
InChIKeyISAUQGBZARRCAH-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.46
Rot. Bonds3

About 5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole

5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole (PubChem CID 110114359) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole
PubChem CID110114359
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC Name5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESCc1cnc(C2(C)CCN(Cc3cscn3)CC2)s1
InChIInChI=1S/C14H19N3S2/c1-11-7-15-13(19-11)14(2)3-5-17(6-4-14)8-12-9-18-10-16-12/h7,9-10H,3-6,8H2,1-2H3
InChIKeyISAUQGBZARRCAH-UHFFFAOYSA-N
XLogP3.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole (CID 110114359) is 5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole is Cc1cnc(C2(C)CCN(Cc3cscn3)CC2)s1.
What is the InChIKey of 5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is ISAUQGBZARRCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-11-7-15-13(19-11)14(2)3-5-17(6-4-14)8-12-9-18-10-16-12/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole?
5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 293.46 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 110114359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).