1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol

C9H13F2NOS — CID 130618986

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol
SMILESCc1nc(CC(O)C(C)(F)F)sc1C
InChIInChI=1S/C9H13F2NOS/c1-5-6(2)14-8(12-5)4-7(13)9(3,10)11/h7,13H,4H2,1-3H3
InChIKeyJUGQMOQDHGUMSA-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.32
Rot. Bonds3

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol (PubChem CID 130618986) has the molecular formula C9H13F2NOS and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol
PubChem CID130618986
Molecular FormulaC9H13F2NOS
Molecular Weight221.27 g/mol
Exact Mass221.07
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol
SMILESCc1nc(CC(O)C(C)(F)F)sc1C
InChIInChI=1S/C9H13F2NOS/c1-5-6(2)14-8(12-5)4-7(13)9(3,10)11/h7,13H,4H2,1-3H3
InChIKeyJUGQMOQDHGUMSA-UHFFFAOYSA-N
XLogP2.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol (CID 130618986) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol is Cc1nc(CC(O)C(C)(F)F)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol?
The InChIKey is JUGQMOQDHGUMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NOS/c1-5-6(2)14-8(12-5)4-7(13)9(3,10)11/h7,13H,4H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol has a molecular weight of 221.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-difluorobutan-2-ol is sourced from PubChem (CID 130618986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).