(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone

C15H12F2N2OS — CID 155713337

IUPAC(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone
SMILESCCCc1csc(C(=O)c2c[nH]c3cc(F)c(F)cc23)n1
InChIInChI=1S/C15H12F2N2OS/c1-2-3-8-7-21-15(19-8)14(20)10-6-18-13-5-12(17)11(16)4-9(10)13/h4-7,18H,2-3H2,1H3
InChIKeyIOBSIVFCIQAPFK-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.09
Rot. Bonds4

About (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone

(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone (PubChem CID 155713337) has the molecular formula C15H12F2N2OS and a molecular weight of 306.34 g/mol. Its IUPAC name is (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone
PubChem CID155713337
Molecular FormulaC15H12F2N2OS
Molecular Weight306.34 g/mol
Exact Mass306.06
IUPAC Name(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone
SMILESCCCc1csc(C(=O)c2c[nH]c3cc(F)c(F)cc23)n1
InChIInChI=1S/C15H12F2N2OS/c1-2-3-8-7-21-15(19-8)14(20)10-6-18-13-5-12(17)11(16)4-9(10)13/h4-7,18H,2-3H2,1H3
InChIKeyIOBSIVFCIQAPFK-UHFFFAOYSA-N
XLogP4.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone (CID 155713337) is (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone is CCCc1csc(C(=O)c2c[nH]c3cc(F)c(F)cc23)n1.
What is the InChIKey of (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone?
The InChIKey is IOBSIVFCIQAPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2OS/c1-2-3-8-7-21-15(19-8)14(20)10-6-18-13-5-12(17)11(16)4-9(10)13/h4-7,18H,2-3H2,1H3.
What are the key properties of (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone?
(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone has a molecular weight of 306.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 155713337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).