6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide

C15H14FN3OS — CID 10357612

IUPAC6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2nccs2)c2ccc(F)cc21
InChIInChI=1S/C15H14FN3OS/c1-9(2)19-8-12(11-4-3-10(16)7-13(11)19)14(20)18-15-17-5-6-21-15/h3-9H,1-2H3,(H,17,18,20)
InChIKeyWCQIQZYNMUIBII-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.07
Rot. Bonds3

About 6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide

6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide (PubChem CID 10357612) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide
PubChem CID10357612
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2nccs2)c2ccc(F)cc21
InChIInChI=1S/C15H14FN3OS/c1-9(2)19-8-12(11-4-3-10(16)7-13(11)19)14(20)18-15-17-5-6-21-15/h3-9H,1-2H3,(H,17,18,20)
InChIKeyWCQIQZYNMUIBII-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The IUPAC name of 6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide (CID 10357612) is 6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide.
What is the SMILES notation for 6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The canonical SMILES for 6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide is CC(C)n1cc(C(=O)Nc2nccs2)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The InChIKey is WCQIQZYNMUIBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-9(2)19-8-12(11-4-3-10(16)7-13(11)19)14(20)18-15-17-5-6-21-15/h3-9H,1-2H3,(H,17,18,20).
What are the key properties of 6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-propan-2-yl-N-(1,3-thiazol-2-yl)indole-3-carboxamide is sourced from PubChem (CID 10357612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).