4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine

C12H20N2OS2 — CID 114621515

IUPAC4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H20N2OS2/c1-7-9(17-10(13)14-7)16-8-6-11(2,3)15-12(8,4)5/h8H,6H2,1-5H3,(H2,13,14)
InChIKeyQAHCLVFEFFETNA-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.47
Rot. Bonds2

About 4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine

4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine (PubChem CID 114621515) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine
PubChem CID114621515
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC Name4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H20N2OS2/c1-7-9(17-10(13)14-7)16-8-6-11(2,3)15-12(8,4)5/h8H,6H2,1-5H3,(H2,13,14)
InChIKeyQAHCLVFEFFETNA-UHFFFAOYSA-N
XLogP3.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine (CID 114621515) is 4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine is Cc1nc(N)sc1SC1CC(C)(C)OC1(C)C.
What is the InChIKey of 4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine?
The InChIKey is QAHCLVFEFFETNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-7-9(17-10(13)14-7)16-8-6-11(2,3)15-12(8,4)5/h8H,6H2,1-5H3,(H2,13,14).
What are the key properties of 4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine?
4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine has a molecular weight of 272.44 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine is sourced from PubChem (CID 114621515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).