4-methyl-5-(propan-2-yloxymethyl)thiadiazole

C7H12N2OS — CID 121261755

IUPAC4-methyl-5-(propan-2-yloxymethyl)thiadiazole
SMILESCc1nnsc1COC(C)C
InChIInChI=1S/C7H12N2OS/c1-5(2)10-4-7-6(3)8-9-11-7/h5H,4H2,1-3H3
InChIKeySFGLYRMKIMVTFW-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.77
Rot. Bonds3

About 4-methyl-5-(propan-2-yloxymethyl)thiadiazole

4-methyl-5-(propan-2-yloxymethyl)thiadiazole (PubChem CID 121261755) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-methyl-5-(propan-2-yloxymethyl)thiadiazole.

Molecular Properties

Compound Name4-methyl-5-(propan-2-yloxymethyl)thiadiazole
PubChem CID121261755
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name4-methyl-5-(propan-2-yloxymethyl)thiadiazole
SMILESCc1nnsc1COC(C)C
InChIInChI=1S/C7H12N2OS/c1-5(2)10-4-7-6(3)8-9-11-7/h5H,4H2,1-3H3
InChIKeySFGLYRMKIMVTFW-UHFFFAOYSA-N
XLogP1.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(propan-2-yloxymethyl)thiadiazole?
The IUPAC name of 4-methyl-5-(propan-2-yloxymethyl)thiadiazole (CID 121261755) is 4-methyl-5-(propan-2-yloxymethyl)thiadiazole.
What is the SMILES notation for 4-methyl-5-(propan-2-yloxymethyl)thiadiazole?
The canonical SMILES for 4-methyl-5-(propan-2-yloxymethyl)thiadiazole is Cc1nnsc1COC(C)C.
What is the InChIKey of 4-methyl-5-(propan-2-yloxymethyl)thiadiazole?
The InChIKey is SFGLYRMKIMVTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5(2)10-4-7-6(3)8-9-11-7/h5H,4H2,1-3H3.
What are the key properties of 4-methyl-5-(propan-2-yloxymethyl)thiadiazole?
4-methyl-5-(propan-2-yloxymethyl)thiadiazole has a molecular weight of 172.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(propan-2-yloxymethyl)thiadiazole is sourced from PubChem (CID 121261755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).