2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole

C9H17NS — CID 58092319

IUPAC2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole
SMILESCC(C)C1=CNC(C(C)C)S1
InChIInChI=1S/C9H17NS/c1-6(2)8-5-10-9(11-8)7(3)4/h5-7,9-10H,1-4H3
InChIKeyRWFZLPVQPWEBGK-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.80
Rot. Bonds2

About 2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole

2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole (PubChem CID 58092319) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole
PubChem CID58092319
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole
SMILESCC(C)C1=CNC(C(C)C)S1
InChIInChI=1S/C9H17NS/c1-6(2)8-5-10-9(11-8)7(3)4/h5-7,9-10H,1-4H3
InChIKeyRWFZLPVQPWEBGK-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole (CID 58092319) is 2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole is CC(C)C1=CNC(C(C)C)S1.
What is the InChIKey of 2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole?
The InChIKey is RWFZLPVQPWEBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-6(2)8-5-10-9(11-8)7(3)4/h5-7,9-10H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole?
2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole has a molecular weight of 171.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 58092319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).