4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C18H12N6S — CID 46865751

IUPAC4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESc1ccc(-c2nc(-c3ccnc4[nH]ccc34)sc2-c2ncn[nH]2)cc1
InChIInChI=1S/C18H12N6S/c1-2-4-11(5-3-1)14-15(17-21-10-22-24-17)25-18(23-14)13-7-9-20-16-12(13)6-8-19-16/h1-10H,(H,19,20)(H,21,22,24)
InChIKeyNFPSUEZQCFPLQQ-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.14
Rot. Bonds3

About 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 46865751) has the molecular formula C18H12N6S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID46865751
Molecular FormulaC18H12N6S
Molecular Weight344.40 g/mol
Exact Mass344.08
IUPAC Name4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESc1ccc(-c2nc(-c3ccnc4[nH]ccc34)sc2-c2ncn[nH]2)cc1
InChIInChI=1S/C18H12N6S/c1-2-4-11(5-3-1)14-15(17-21-10-22-24-17)25-18(23-14)13-7-9-20-16-12(13)6-8-19-16/h1-10H,(H,19,20)(H,21,22,24)
InChIKeyNFPSUEZQCFPLQQ-UHFFFAOYSA-N
XLogP4.14
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 46865751) is 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is c1ccc(-c2nc(-c3ccnc4[nH]ccc34)sc2-c2ncn[nH]2)cc1.
What is the InChIKey of 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is NFPSUEZQCFPLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6S/c1-2-4-11(5-3-1)14-15(17-21-10-22-24-17)25-18(23-14)13-7-9-20-16-12(13)6-8-19-16/h1-10H,(H,19,20)(H,21,22,24).
What are the key properties of 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 344.40 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 46865751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).