3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide

C18H13FN4OS — CID 167504756

IUPAC3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2c(F)cc3[nH]ccc3c2-c2nccs2)c1
InChIInChI=1S/C18H13FN4OS/c19-13-9-14-12(4-5-22-14)15(18-23-6-7-25-18)16(13)24-11-3-1-2-10(8-11)17(20)21/h1-9,22H,(H3,20,21)
InChIKeyNNHQPAMGVFOHMZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.51
Rot. Bonds4

About 3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide

3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide (PubChem CID 167504756) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide
PubChem CID167504756
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC Name3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2c(F)cc3[nH]ccc3c2-c2nccs2)c1
InChIInChI=1S/C18H13FN4OS/c19-13-9-14-12(4-5-22-14)15(18-23-6-7-25-18)16(13)24-11-3-1-2-10(8-11)17(20)21/h1-9,22H,(H3,20,21)
InChIKeyNNHQPAMGVFOHMZ-UHFFFAOYSA-N
XLogP4.51
TPSA87.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[2-[[5-(3-carbamimidoylphenoxy)-6-fluoro-1H-indol-4-yl]sulfanyl]ethyl]-N-methylcarbamate
CID 171771355
3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide
CID 81293654
3-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]benzenecarbothioamide
CID 171077473
5-[[4-(2,2-difluoroethyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide
CID 167504472
5-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboximidamide
CID 142785508
5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide
CID 167504458
5-[[4-(azidomethyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide
CID 171076713
3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 82918831
4-(1,3-thiazol-2-yloxy)benzenecarboximidamide
CID 57451678
3-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 115514127
3-[(5-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 103046763
3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 114849637

Frequently Asked Questions

What is the IUPAC name of 3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide?
The IUPAC name of 3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide (CID 167504756) is 3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide.
What is the SMILES notation for 3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide?
The canonical SMILES for 3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(Oc2c(F)cc3[nH]ccc3c2-c2nccs2)c1.
What is the InChIKey of 3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide?
The InChIKey is NNHQPAMGVFOHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c19-13-9-14-12(4-5-22-14)15(18-23-6-7-25-18)16(13)24-11-3-1-2-10(8-11)17(20)21/h1-9,22H,(H3,20,21).
What are the key properties of 3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide?
3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide has a molecular weight of 352.39 g/mol, XLogP of 4.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide is sourced from PubChem (CID 167504756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).