(5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone

C15H12F2N2O2S — CID 155231612

IUPAC(5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
SMILESCC[C@@H](O)c1csc(C(=O)c2c[nH]c3c(F)cc(F)cc23)n1
InChIInChI=1S/C15H12F2N2O2S/c1-2-12(20)11-6-22-15(19-11)14(21)9-5-18-13-8(9)3-7(16)4-10(13)17/h3-6,12,18,20H,2H2,1H3/t12-/m1/s1
InChIKeyRIQIIWQISIYBPZ-GFCCVEGCSA-N
MW322.34 g/mol
LogP3.58
Rot. Bonds4

About (5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone

(5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone (PubChem CID 155231612) has the molecular formula C15H12F2N2O2S and a molecular weight of 322.34 g/mol. Its IUPAC name is (5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Name(5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
PubChem CID155231612
Molecular FormulaC15H12F2N2O2S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name(5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
SMILESCC[C@@H](O)c1csc(C(=O)c2c[nH]c3c(F)cc(F)cc23)n1
InChIInChI=1S/C15H12F2N2O2S/c1-2-12(20)11-6-22-15(19-11)14(21)9-5-18-13-8(9)3-7(16)4-10(13)17/h3-6,12,18,20H,2H2,1H3/t12-/m1/s1
InChIKeyRIQIIWQISIYBPZ-GFCCVEGCSA-N
XLogP3.58
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone?
The IUPAC name of (5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone (CID 155231612) is (5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for (5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone?
The canonical SMILES for (5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone is CC[C@@H](O)c1csc(C(=O)c2c[nH]c3c(F)cc(F)cc23)n1.
What is the InChIKey of (5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone?
The InChIKey is RIQIIWQISIYBPZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H12F2N2O2S/c1-2-12(20)11-6-22-15(19-11)14(21)9-5-18-13-8(9)3-7(16)4-10(13)17/h3-6,12,18,20H,2H2,1H3/t12-/m1/s1.
What are the key properties of (5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone?
(5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone has a molecular weight of 322.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 155231612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).