3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole

C17H20N6OS — CID 110237198

IUPAC3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
SMILESCc1cc(-c2snnc2C2CCCN(Cc3cnc(C)nc3)C2)on1
InChIInChI=1S/C17H20N6OS/c1-11-6-15(24-21-11)17-16(20-22-25-17)14-4-3-5-23(10-14)9-13-7-18-12(2)19-8-13/h6-8,14H,3-5,9-10H2,1-2H3
InChIKeyDWUJMSZINVGBSU-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.98
Rot. Bonds4

About 3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole

3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole (PubChem CID 110237198) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
PubChem CID110237198
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
SMILESCc1cc(-c2snnc2C2CCCN(Cc3cnc(C)nc3)C2)on1
InChIInChI=1S/C17H20N6OS/c1-11-6-15(24-21-11)17-16(20-22-25-17)14-4-3-5-23(10-14)9-13-7-18-12(2)19-8-13/h6-8,14H,3-5,9-10H2,1-2H3
InChIKeyDWUJMSZINVGBSU-UHFFFAOYSA-N
XLogP2.98
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 110237195
5-[4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 95856203
5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 92554129
5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 110237190
cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone
CID 95856208
3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
CID 95856201
[3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110237217
5-[4-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670063
2-hydroxypropane-1,2,3-tricarboxylic acid;3-methyl-5-[4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]thiadiazol-5-yl]-1,2-oxazole
CID 171700481
6-methyl-3-[(3R)-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 92601282
3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one
CID 92554125
2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 125022368

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole (CID 110237198) is 3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole is Cc1cc(-c2snnc2C2CCCN(Cc3cnc(C)nc3)C2)on1.
What is the InChIKey of 3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole?
The InChIKey is DWUJMSZINVGBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-11-6-15(24-21-11)17-16(20-22-25-17)14-4-3-5-23(10-14)9-13-7-18-12(2)19-8-13/h6-8,14H,3-5,9-10H2,1-2H3.
What are the key properties of 3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole?
3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole has a molecular weight of 356.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 110237198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).