4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine

C12H10FN3S — CID 82792201

IUPAC4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1c[nH]c2cccc(F)c12
InChIInChI=1S/C12H10FN3S/c1-6-11(16-12(14)17-6)7-5-15-9-4-2-3-8(13)10(7)9/h2-5,15H,1H3,(H2,14,16)
InChIKeySLRPXTRXSNGSBE-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.32
Rot. Bonds1

About 4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine

4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 82792201) has the molecular formula C12H10FN3S and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine
PubChem CID82792201
Molecular FormulaC12H10FN3S
Molecular Weight247.30 g/mol
Exact Mass247.06
IUPAC Name4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1c[nH]c2cccc(F)c12
InChIInChI=1S/C12H10FN3S/c1-6-11(16-12(14)17-6)7-5-15-9-4-2-3-8(13)10(7)9/h2-5,15H,1H3,(H2,14,16)
InChIKeySLRPXTRXSNGSBE-UHFFFAOYSA-N
XLogP3.32
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine (CID 82792201) is 4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1c[nH]c2cccc(F)c12.
What is the InChIKey of 4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is SLRPXTRXSNGSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3S/c1-6-11(16-12(14)17-6)7-5-15-9-4-2-3-8(13)10(7)9/h2-5,15H,1H3,(H2,14,16).
What are the key properties of 4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine?
4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 247.30 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1H-indol-3-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82792201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).