(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine

C11H19N3OS — CID 105189143

IUPAC(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine
SMILESCC1(C)CC(C(N)c2csnn2)C(C)(C)O1
InChIInChI=1S/C11H19N3OS/c1-10(2)5-7(11(3,4)15-10)9(12)8-6-16-14-13-8/h6-7,9H,5,12H2,1-4H3
InChIKeyVJDCPUWRSQVKCE-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.13
Rot. Bonds2

About (2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine

(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine (PubChem CID 105189143) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine
PubChem CID105189143
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine
SMILESCC1(C)CC(C(N)c2csnn2)C(C)(C)O1
InChIInChI=1S/C11H19N3OS/c1-10(2)5-7(11(3,4)15-10)9(12)8-6-16-14-13-8/h6-7,9H,5,12H2,1-4H3
InChIKeyVJDCPUWRSQVKCE-UHFFFAOYSA-N
XLogP2.13
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107977785
(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623339
(2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623417
(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053033
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052724
(3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 103443700
(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623491
[(4-propan-2-ylthiadiazol-5-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341749
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 79933888
(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107953815
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974

Frequently Asked Questions

What is the IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine?
The IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine (CID 105189143) is (2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for (2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine?
The canonical SMILES for (2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine is CC1(C)CC(C(N)c2csnn2)C(C)(C)O1.
What is the InChIKey of (2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine?
The InChIKey is VJDCPUWRSQVKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-10(2)5-7(11(3,4)15-10)9(12)8-6-16-14-13-8/h6-7,9H,5,12H2,1-4H3.
What are the key properties of (2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine?
(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine has a molecular weight of 241.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105189143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).