2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

C16H10FN3S — CID 54613609

IUPAC2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESFc1cccc(-c2nc(-c3c[nH]c4ncccc34)cs2)c1
InChIInChI=1S/C16H10FN3S/c17-11-4-1-3-10(7-11)16-20-14(9-21-16)13-8-19-15-12(13)5-2-6-18-15/h1-9H,(H,18,19)
InChIKeyGZBXLRAATULXMI-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.49
Rot. Bonds2

About 2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (PubChem CID 54613609) has the molecular formula C16H10FN3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
PubChem CID54613609
Molecular FormulaC16H10FN3S
Molecular Weight295.34 g/mol
Exact Mass295.06
IUPAC Name2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESFc1cccc(-c2nc(-c3c[nH]c4ncccc34)cs2)c1
InChIInChI=1S/C16H10FN3S/c17-11-4-1-3-10(7-11)16-20-14(9-21-16)13-8-19-15-12(13)5-2-6-18-15/h1-9H,(H,18,19)
InChIKeyGZBXLRAATULXMI-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
(4-(4-Fluorophenyl)(2,5-thiazolyl))-2-pyridylamine
CID 1092430
4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 804966
[2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol
CID 56912725
2-[(4-Fluorophenyl)methylthio]imidazo[5,4-b]pyridine
CID 778306
2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole
CID 14742548
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231
5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166629551
5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166629640
N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 944383
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpyridin-2-amine
CID 973062

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (CID 54613609) is 2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is Fc1cccc(-c2nc(-c3c[nH]c4ncccc34)cs2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The InChIKey is GZBXLRAATULXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3S/c17-11-4-1-3-10(7-11)16-20-14(9-21-16)13-8-19-15-12(13)5-2-6-18-15/h1-9H,(H,18,19).
What are the key properties of 2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole has a molecular weight of 295.34 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 54613609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).