7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol

C19H21FN4OS2 — CID 162432925

IUPAC7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol
SMILESCCC(CCNC)c1cc2sc(-c3cc4cn(C)nc4c(F)c3O)nc2s1
InChIInChI=1S/C19H21FN4OS2/c1-4-10(5-6-21-2)13-8-14-19(26-13)22-18(27-14)12-7-11-9-24(3)23-16(11)15(20)17(12)25/h7-10,21,25H,4-6H2,1-3H3
InChIKeyQUBHIMJYODHFMA-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.86
Rot. Bonds6

About 7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol

7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol (PubChem CID 162432925) has the molecular formula C19H21FN4OS2 and a molecular weight of 404.54 g/mol. Its IUPAC name is 7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol.

Molecular Properties

Compound Name7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol
PubChem CID162432925
Molecular FormulaC19H21FN4OS2
Molecular Weight404.54 g/mol
Exact Mass404.11
IUPAC Name7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol
SMILESCCC(CCNC)c1cc2sc(-c3cc4cn(C)nc4c(F)c3O)nc2s1
InChIInChI=1S/C19H21FN4OS2/c1-4-10(5-6-21-2)13-8-14-19(26-13)22-18(27-14)12-7-11-9-24(3)23-16(11)15(20)17(12)25/h7-10,21,25H,4-6H2,1-3H3
InChIKeyQUBHIMJYODHFMA-UHFFFAOYSA-N
XLogP4.86
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol?
The IUPAC name of 7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol (CID 162432925) is 7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol.
What is the SMILES notation for 7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol?
The canonical SMILES for 7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol is CCC(CCNC)c1cc2sc(-c3cc4cn(C)nc4c(F)c3O)nc2s1.
What is the InChIKey of 7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol?
The InChIKey is QUBHIMJYODHFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS2/c1-4-10(5-6-21-2)13-8-14-19(26-13)22-18(27-14)12-7-11-9-24(3)23-16(11)15(20)17(12)25/h7-10,21,25H,4-6H2,1-3H3.
What are the key properties of 7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol?
7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol has a molecular weight of 404.54 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-5-[5-[1-(methylamino)pentan-3-yl]thieno[2,3-d][1,3]thiazol-2-yl]indazol-6-ol is sourced from PubChem (CID 162432925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).