(4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol

C16H12FN5OS — CID 58494331

IUPAC(4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol
SMILESOC(c1ccc(F)cc1)c1nc(Nc2nccs2)c2cccn2n1
InChIInChI=1S/C16H12FN5OS/c17-11-5-3-10(4-6-11)13(23)15-19-14(20-16-18-7-9-24-16)12-2-1-8-22(12)21-15/h1-9,13,23H,(H,18,19,20,21)
InChIKeyIMYUUBBBJNVJDN-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.15
Rot. Bonds4

About (4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol

(4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol (PubChem CID 58494331) has the molecular formula C16H12FN5OS and a molecular weight of 341.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol
PubChem CID58494331
Molecular FormulaC16H12FN5OS
Molecular Weight341.37 g/mol
Exact Mass341.07
IUPAC Name(4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol
SMILESOC(c1ccc(F)cc1)c1nc(Nc2nccs2)c2cccn2n1
InChIInChI=1S/C16H12FN5OS/c17-11-5-3-10(4-6-11)13(23)15-19-14(20-16-18-7-9-24-16)12-2-1-8-22(12)21-15/h1-9,13,23H,(H,18,19,20,21)
InChIKeyIMYUUBBBJNVJDN-UHFFFAOYSA-N
XLogP3.15
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol (CID 58494331) is (4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol is OC(c1ccc(F)cc1)c1nc(Nc2nccs2)c2cccn2n1.
What is the InChIKey of (4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol?
The InChIKey is IMYUUBBBJNVJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5OS/c17-11-5-3-10(4-6-11)13(23)15-19-14(20-16-18-7-9-24-16)12-2-1-8-22(12)21-15/h1-9,13,23H,(H,18,19,20,21).
What are the key properties of (4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol?
(4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol has a molecular weight of 341.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol is sourced from PubChem (CID 58494331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).