5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole

C14H8FN3S — CID 175168061

IUPAC5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole
SMILESFc1ccc2[nH]c3c(-c4cncs4)nccc3c2c1
InChIInChI=1S/C14H8FN3S/c15-8-1-2-11-10(5-8)9-3-4-17-14(13(9)18-11)12-6-16-7-19-12/h1-7,18H
InChIKeyXSBUIYCFZVRNOM-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.98
Rot. Bonds1

About 5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole

5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole (PubChem CID 175168061) has the molecular formula C14H8FN3S and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole
PubChem CID175168061
Molecular FormulaC14H8FN3S
Molecular Weight269.30 g/mol
Exact Mass269.04
IUPAC Name5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole
SMILESFc1ccc2[nH]c3c(-c4cncs4)nccc3c2c1
InChIInChI=1S/C14H8FN3S/c15-8-1-2-11-10(5-8)9-3-4-17-14(13(9)18-11)12-6-16-7-19-12/h1-7,18H
InChIKeyXSBUIYCFZVRNOM-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole
CID 134134625
6-fluoro-9H-pyrido[3,4-b]indol-3-amine
CID 115022160
6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one
CID 154805156
6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole
CID 73441786
N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine
CID 57412102
1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole
CID 70800060
1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole
CID 175790323
1-naphthalen-2-yl-9H-pyrido[3,4-b]indole
CID 91398719
2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile
CID 70812252
2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole
CID 59239038
3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
CID 137114151
4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257255

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole?
The IUPAC name of 5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole (CID 175168061) is 5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole?
The canonical SMILES for 5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole is Fc1ccc2[nH]c3c(-c4cncs4)nccc3c2c1.
What is the InChIKey of 5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole?
The InChIKey is XSBUIYCFZVRNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3S/c15-8-1-2-11-10(5-8)9-3-4-17-14(13(9)18-11)12-6-16-7-19-12/h1-7,18H.
What are the key properties of 5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole?
5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole has a molecular weight of 269.30 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole is sourced from PubChem (CID 175168061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).