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

C13H17N3S2 — CID 118739959

IUPAC2-methyl-4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCCC(c3nccs3)C2)cs1
InChIInChI=1S/C13H17N3S2/c1-10-15-12(9-18-10)8-16-5-2-3-11(7-16)13-14-4-6-17-13/h4,6,9,11H,2-3,5,7-8H2,1H3
InChIKeyUJIYMULOXZRMMR-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.29
Rot. Bonds3

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

2-methyl-4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 118739959) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-methyl-4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID118739959
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC Name2-methyl-4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCCC(c3nccs3)C2)cs1
InChIInChI=1S/C13H17N3S2/c1-10-15-12(9-18-10)8-16-5-2-3-11(7-16)13-14-4-6-17-13/h4,6,9,11H,2-3,5,7-8H2,1H3
InChIKeyUJIYMULOXZRMMR-UHFFFAOYSA-N
XLogP3.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 118739959) is 2-methyl-4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCCC(c3nccs3)C2)cs1.
What is the InChIKey of 2-methyl-4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is UJIYMULOXZRMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-10-15-12(9-18-10)8-16-5-2-3-11(7-16)13-14-4-6-17-13/h4,6,9,11H,2-3,5,7-8H2,1H3.
What are the key properties of 2-methyl-4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 279.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 118739959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).