1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide

C7H15NOS — CID 149090798

IUPAC1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide
SMILESCC(C)CS1(=O)=NCCC1
InChIInChI=1S/C7H15NOS/c1-7(2)6-10(9)5-3-4-8-10/h7H,3-6H2,1-2H3
InChIKeyQSIGHJITDRDWTH-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.51
Rot. Bonds2

About 1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide

1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide (PubChem CID 149090798) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide.

Molecular Properties

Compound Name1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide
PubChem CID149090798
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide
SMILESCC(C)CS1(=O)=NCCC1
InChIInChI=1S/C7H15NOS/c1-7(2)6-10(9)5-3-4-8-10/h7H,3-6H2,1-2H3
InChIKeyQSIGHJITDRDWTH-UHFFFAOYSA-N
XLogP1.51
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The IUPAC name of 1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide (CID 149090798) is 1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide.
What is the SMILES notation for 1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The canonical SMILES for 1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide is CC(C)CS1(=O)=NCCC1.
What is the InChIKey of 1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The InChIKey is QSIGHJITDRDWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2)6-10(9)5-3-4-8-10/h7H,3-6H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide?
1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide has a molecular weight of 161.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide is sourced from PubChem (CID 149090798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).