4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine

C7H13N3OS — CID 62193056

IUPAC4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine
SMILESCC(C)(C)OCc1nnsc1N
InChIInChI=1S/C7H13N3OS/c1-7(2,3)11-4-5-6(8)12-10-9-5/h4,8H2,1-3H3
InChIKeyRTFHAVREZWJHPP-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.44
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine

4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine (PubChem CID 62193056) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine
PubChem CID62193056
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine
SMILESCC(C)(C)OCc1nnsc1N
InChIInChI=1S/C7H13N3OS/c1-7(2,3)11-4-5-6(8)12-10-9-5/h4,8H2,1-3H3
InChIKeyRTFHAVREZWJHPP-UHFFFAOYSA-N
XLogP1.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine
CID 102723015
4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine
CID 55044701
4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine
CID 114276784
4-(cyclobutyloxymethyl)thiadiazol-5-amine
CID 62190108
4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
CID 62195183
5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine
CID 80608941
4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine
CID 62193307
4-(oxan-4-yloxymethyl)thiadiazol-5-amine
CID 62188713
4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine
CID 62193343
4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine
CID 107285489
4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine
CID 115383644
4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine
CID 104603985

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine (CID 62193056) is 4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine is CC(C)(C)OCc1nnsc1N.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine?
The InChIKey is RTFHAVREZWJHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-7(2,3)11-4-5-6(8)12-10-9-5/h4,8H2,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine?
4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine has a molecular weight of 187.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine is sourced from PubChem (CID 62193056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).