2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol

C15H14FN3OS2 — CID 70833258

IUPAC2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol
SMILESCn1c(C2CCSC2)c(O)c2nc(-c3cncc(F)c3)sc21
InChIInChI=1S/C15H14FN3OS2/c1-19-12(8-2-3-21-7-8)13(20)11-15(19)22-14(18-11)9-4-10(16)6-17-5-9/h4-6,8,20H,2-3,7H2,1H3
InChIKeyBXYBNOKVXNDIMB-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.76
Rot. Bonds2

About 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol

2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol (PubChem CID 70833258) has the molecular formula C15H14FN3OS2 and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol
PubChem CID70833258
Molecular FormulaC15H14FN3OS2
Molecular Weight335.43 g/mol
Exact Mass335.06
IUPAC Name2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol
SMILESCn1c(C2CCSC2)c(O)c2nc(-c3cncc(F)c3)sc21
InChIInChI=1S/C15H14FN3OS2/c1-19-12(8-2-3-21-7-8)13(20)11-15(19)22-14(18-11)9-4-10(16)6-17-5-9/h4-6,8,20H,2-3,7H2,1H3
InChIKeyBXYBNOKVXNDIMB-UHFFFAOYSA-N
XLogP3.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol (CID 70833258) is 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol is Cn1c(C2CCSC2)c(O)c2nc(-c3cncc(F)c3)sc21.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol?
The InChIKey is BXYBNOKVXNDIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS2/c1-19-12(8-2-3-21-7-8)13(20)11-15(19)22-14(18-11)9-4-10(16)6-17-5-9/h4-6,8,20H,2-3,7H2,1H3.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol?
2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol has a molecular weight of 335.43 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(thiolan-3-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol is sourced from PubChem (CID 70833258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).