3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol

C9H17NOS — CID 144672159

IUPAC3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol
SMILESCC(C)C1=CSC(O)N1C(C)C
InChIInChI=1S/C9H17NOS/c1-6(2)8-5-12-9(11)10(8)7(3)4/h5-7,9,11H,1-4H3
InChIKeyGWMIPDWSOXRRSB-UHFFFAOYSA-N
MW187.31 g/mol
LogP2.22
Rot. Bonds2

About 3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol

3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol (PubChem CID 144672159) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol
PubChem CID144672159
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol
SMILESCC(C)C1=CSC(O)N1C(C)C
InChIInChI=1S/C9H17NOS/c1-6(2)8-5-12-9(11)10(8)7(3)4/h5-7,9,11H,1-4H3
InChIKeyGWMIPDWSOXRRSB-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-di(propan-2-yl)-2H-1,3-thiazole
CID 121260868

Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol?
The IUPAC name of 3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol (CID 144672159) is 3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol.
What is the SMILES notation for 3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol?
The canonical SMILES for 3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol is CC(C)C1=CSC(O)N1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol?
The InChIKey is GWMIPDWSOXRRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-6(2)8-5-12-9(11)10(8)7(3)4/h5-7,9,11H,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol?
3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol has a molecular weight of 187.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-2H-1,3-thiazol-2-ol is sourced from PubChem (CID 144672159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).