1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol

C14H12FN3OS — CID 135653614

IUPAC1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)cs2)=C(O)CN1c1ccc(F)cc1
InChIInChI=1S/C14H12FN3OS/c1-8-7-20-14(17-8)12-11(19)6-18(13(12)16)10-4-2-9(15)3-5-10/h2-5,7,16,19H,6H2,1H3/b16-13-
InChIKeySQUFSCDIUCZIHX-SSZFMOIBSA-N
MW289.34 g/mol
LogP3.36
Rot. Bonds2

About 1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol

1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol (PubChem CID 135653614) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
PubChem CID135653614
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)cs2)=C(O)CN1c1ccc(F)cc1
InChIInChI=1S/C14H12FN3OS/c1-8-7-20-14(17-8)12-11(19)6-18(13(12)16)10-4-2-9(15)3-5-10/h2-5,7,16,19H,6H2,1H3/b16-13-
InChIKeySQUFSCDIUCZIHX-SSZFMOIBSA-N
XLogP3.36
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol?
The IUPAC name of 1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol (CID 135653614) is 1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol?
The canonical SMILES for 1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc(C)cs2)=C(O)CN1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol?
The InChIKey is SQUFSCDIUCZIHX-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-8-7-20-14(17-8)12-11(19)6-18(13(12)16)10-4-2-9(15)3-5-10/h2-5,7,16,19H,6H2,1H3/b16-13-.
What are the key properties of 1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol?
1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol has a molecular weight of 289.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol is sourced from PubChem (CID 135653614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).