5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole

C15H15FN4S — CID 122154350

IUPAC5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole
SMILESCc1nnsc1CN1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C15H15FN4S/c1-9-15(21-19-18-9)8-20-5-4-14-12(7-20)11-6-10(16)2-3-13(11)17-14/h2-3,6,17H,4-5,7-8H2,1H3
InChIKeySSDIAUXETANWIG-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.03
Rot. Bonds2

About 5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole

5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole (PubChem CID 122154350) has the molecular formula C15H15FN4S and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole.

Molecular Properties

Compound Name5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole
PubChem CID122154350
Molecular FormulaC15H15FN4S
Molecular Weight302.38 g/mol
Exact Mass302.10
IUPAC Name5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole
SMILESCc1nnsc1CN1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C15H15FN4S/c1-9-15(21-19-18-9)8-20-5-4-14-12(7-20)11-6-10(16)2-3-13(11)17-14/h2-3,6,17H,4-5,7-8H2,1H3
InChIKeySSDIAUXETANWIG-UHFFFAOYSA-N
XLogP3.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-2-[4-(4-fluorophenyl)butyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 124781824
1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol
CID 56730042
3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propyl 4-fluorobenzoate
CID 122174311
2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile
CID 70619119
4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one
CID 122154149
8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 106821098
5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56754916
8-fluoro-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 47071855
1-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-(5-methyltetrazol-1-yl)propan-1-one
CID 91779233
2-ethyl-7-fluoro-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole
CID 71425514
(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone
CID 32836266
2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 3854141

Frequently Asked Questions

What is the IUPAC name of 5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole?
The IUPAC name of 5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole (CID 122154350) is 5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole.
What is the SMILES notation for 5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole?
The canonical SMILES for 5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole is Cc1nnsc1CN1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of 5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole?
The InChIKey is SSDIAUXETANWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4S/c1-9-15(21-19-18-9)8-20-5-4-14-12(7-20)11-6-10(16)2-3-13(11)17-14/h2-3,6,17H,4-5,7-8H2,1H3.
What are the key properties of 5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole?
5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole has a molecular weight of 302.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole is sourced from PubChem (CID 122154350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).