3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole

C13H13N5OS — CID 128599405

IUPAC3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2noc(C3CCn4cncc4C3)n2)s1
InChIInChI=1S/C13H13N5OS/c1-8-5-15-13(20-8)11-16-12(19-17-11)9-2-3-18-7-14-6-10(18)4-9/h5-7,9H,2-4H2,1H3
InChIKeyVWHGTRXINCHWOE-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.43
Rot. Bonds2

About 3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole

3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole (PubChem CID 128599405) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole
PubChem CID128599405
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2noc(C3CCn4cncc4C3)n2)s1
InChIInChI=1S/C13H13N5OS/c1-8-5-15-13(20-8)11-16-12(19-17-11)9-2-3-18-7-14-6-10(18)4-9/h5-7,9H,2-4H2,1H3
InChIKeyVWHGTRXINCHWOE-UHFFFAOYSA-N
XLogP2.43
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole
CID 75476895
N-[3-[5-[(7S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclopropanecarboxamide
CID 97350755
3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide
CID 128599384
1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 136570434
5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 143331174
3-(6-methoxy-3-pyridinyl)-5-[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1,2,4-oxadiazole
CID 99838236
3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole
CID 167791576
3-pyridin-2-yl-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole
CID 126809326
3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 68926446
3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165486283
3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
CID 119043572
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849680

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole (CID 128599405) is 3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole is Cc1cnc(-c2noc(C3CCn4cncc4C3)n2)s1.
What is the InChIKey of 3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole?
The InChIKey is VWHGTRXINCHWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-8-5-15-13(20-8)11-16-12(19-17-11)9-2-3-18-7-14-6-10(18)4-9/h5-7,9H,2-4H2,1H3.
What are the key properties of 3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole?
3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole has a molecular weight of 287.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 128599405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).