2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol

C13H13F2NOS — CID 116886628

IUPAC2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(-c2ccc(F)c(F)c2)sc1C(C)(C)O
InChIInChI=1S/C13H13F2NOS/c1-7-11(13(2,3)17)18-12(16-7)8-4-5-9(14)10(15)6-8/h4-6,17H,1-3H3
InChIKeySFCCSJVUUCATIF-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.62
Rot. Bonds2

About 2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol

2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 116886628) has the molecular formula C13H13F2NOS and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID116886628
Molecular FormulaC13H13F2NOS
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(-c2ccc(F)c(F)c2)sc1C(C)(C)O
InChIInChI=1S/C13H13F2NOS/c1-7-11(13(2,3)17)18-12(16-7)8-4-5-9(14)10(15)6-8/h4-6,17H,1-3H3
InChIKeySFCCSJVUUCATIF-UHFFFAOYSA-N
XLogP3.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol (CID 116886628) is 2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol is Cc1nc(-c2ccc(F)c(F)c2)sc1C(C)(C)O.
What is the InChIKey of 2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is SFCCSJVUUCATIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NOS/c1-7-11(13(2,3)17)18-12(16-7)8-4-5-9(14)10(15)6-8/h4-6,17H,1-3H3.
What are the key properties of 2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 269.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 116886628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).