3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole

C14H14N4OS2 — CID 62797030

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
SMILESCc1csc(Cc2noc(C3NCCc4sccc43)n2)n1
InChIInChI=1S/C14H14N4OS2/c1-8-7-21-12(16-8)6-11-17-14(19-18-11)13-9-3-5-20-10(9)2-4-15-13/h3,5,7,13,15H,2,4,6H2,1H3
InChIKeyMGGWXMAWVYKKPJ-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.72
Rot. Bonds3

About 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole

3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 62797030) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
PubChem CID62797030
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
SMILESCc1csc(Cc2noc(C3NCCc4sccc43)n2)n1
InChIInChI=1S/C14H14N4OS2/c1-8-7-21-12(16-8)6-11-17-14(19-18-11)13-9-3-5-20-10(9)2-4-15-13/h3,5,7,13,15H,2,4,6H2,1H3
InChIKeyMGGWXMAWVYKKPJ-UHFFFAOYSA-N
XLogP2.72
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 94605740
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914913
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63030798
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62795641
cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 114173528
2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524565
2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524568
5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
CID 104597566
5-[1-(azetidin-3-yl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
CID 116682512
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
CID 63869406
[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846620
2-methyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214248

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole (CID 62797030) is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole is Cc1csc(Cc2noc(C3NCCc4sccc43)n2)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is MGGWXMAWVYKKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-8-7-21-12(16-8)6-11-17-14(19-18-11)13-9-3-5-20-10(9)2-4-15-13/h3,5,7,13,15H,2,4,6H2,1H3.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 318.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 62797030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).