2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole

C10H15NOS — CID 159097715

IUPAC2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole
SMILESCC1[C@@H](C)C(c2nccs2)O[C@H]1C
InChIInChI=1S/C10H15NOS/c1-6-7(2)9(12-8(6)3)10-11-4-5-13-10/h4-9H,1-3H3/t6?,7-,8+,9?/m1/s1
InChIKeyKCWMOGTZJLXWMT-VOFUFXJISA-N
MW197.30 g/mol
LogP2.88
Rot. Bonds1

About 2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole

2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole (PubChem CID 159097715) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole
PubChem CID159097715
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole
SMILESCC1[C@@H](C)C(c2nccs2)O[C@H]1C
InChIInChI=1S/C10H15NOS/c1-6-7(2)9(12-8(6)3)10-11-4-5-13-10/h4-9H,1-3H3/t6?,7-,8+,9?/m1/s1
InChIKeyKCWMOGTZJLXWMT-VOFUFXJISA-N
XLogP2.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole (CID 159097715) is 2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole is CC1[C@@H](C)C(c2nccs2)O[C@H]1C.
What is the InChIKey of 2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole?
The InChIKey is KCWMOGTZJLXWMT-VOFUFXJISA-N. The full InChI is InChI=1S/C10H15NOS/c1-6-7(2)9(12-8(6)3)10-11-4-5-13-10/h4-9H,1-3H3/t6?,7-,8+,9?/m1/s1.
What are the key properties of 2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole?
2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole has a molecular weight of 197.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole is sourced from PubChem (CID 159097715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).