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

C15H21N3S2 — CID 110114381

IUPAC4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(C2(C)CCN(Cc3scnc3C)CC2)s1
InChIInChI=1S/C15H21N3S2/c1-11-8-16-14(20-11)15(3)4-6-18(7-5-15)9-13-12(2)17-10-19-13/h8,10H,4-7,9H2,1-3H3
InChIKeyXSOJHFSINWPCPS-UHFFFAOYSA-N
MW307.49 g/mol
LogP3.77
Rot. Bonds3

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

4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110114381) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is 4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID110114381
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC Name4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(C2(C)CCN(Cc3scnc3C)CC2)s1
InChIInChI=1S/C15H21N3S2/c1-11-8-16-14(20-11)15(3)4-6-18(7-5-15)9-13-12(2)17-10-19-13/h8,10H,4-7,9H2,1-3H3
InChIKeyXSOJHFSINWPCPS-UHFFFAOYSA-N
XLogP3.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 110114381) is 4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1cnc(C2(C)CCN(Cc3scnc3C)CC2)s1.
What is the InChIKey of 4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is XSOJHFSINWPCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-11-8-16-14(20-11)15(3)4-6-18(7-5-15)9-13-12(2)17-10-19-13/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 307.49 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110114381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).