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

C35H24N10OS2 — CID 159965256

IUPAC4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-5-carboxamide;4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESNC(=O)c1sc(-c2ccnc3[nH]ccc23)nc1-c1ccccc1.c1ccc(-c2nc(-c3ccnc4[nH]ccc34)sc2-c2ncn[nH]2)cc1
InChIInChI=1S/C18H12N6S.C17H12N4OS/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;18-15(22)14-13(10-4-2-1-3-5-10)21-17(23-14)12-7-9-20-16-11(12)6-8-19-16/h1-10H,(H,19,20)(H,21,22,24);1-9H,(H2,18,22)(H,19,20)
InChIKeyODVSKADTTWLABS-UHFFFAOYSA-N
MW664.78 g/mol
LogP7.59
Rot. Bonds6

About 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-5-carboxamide;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)-1,3-thiazole-5-carboxamide;4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 159965256) has the molecular formula C35H24N10OS2 and a molecular weight of 664.78 g/mol. Its IUPAC name is 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-5-carboxamide;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)-1,3-thiazole-5-carboxamide;4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID159965256
Molecular FormulaC35H24N10OS2
Molecular Weight664.78 g/mol
Exact Mass664.16
IUPAC Name4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-5-carboxamide;4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESNC(=O)c1sc(-c2ccnc3[nH]ccc23)nc1-c1ccccc1.c1ccc(-c2nc(-c3ccnc4[nH]ccc34)sc2-c2ncn[nH]2)cc1
InChIInChI=1S/C18H12N6S.C17H12N4OS/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;18-15(22)14-13(10-4-2-1-3-5-10)21-17(23-14)12-7-9-20-16-11(12)6-8-19-16/h1-10H,(H,19,20)(H,21,22,24);1-9H,(H2,18,22)(H,19,20)
InChIKeyODVSKADTTWLABS-UHFFFAOYSA-N
XLogP7.59
TPSA167.80 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.78
LogP ≤ 57.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-5-carboxamide;4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-5-carboxamide;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)-1,3-thiazole-5-carboxamide;4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 159965256) is 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-5-carboxamide;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)-1,3-thiazole-5-carboxamide;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)-1,3-thiazole-5-carboxamide;4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is NC(=O)c1sc(-c2ccnc3[nH]ccc23)nc1-c1ccccc1.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)-1,3-thiazole-5-carboxamide;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 ODVSKADTTWLABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6S.C17H12N4OS/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;18-15(22)14-13(10-4-2-1-3-5-10)21-17(23-14)12-7-9-20-16-11(12)6-8-19-16/h1-10H,(H,19,20)(H,21,22,24);1-9H,(H2,18,22)(H,19,20).
What are the key properties of 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-5-carboxamide;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)-1,3-thiazole-5-carboxamide;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 664.78 g/mol, XLogP of 7.59, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-5-carboxamide;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 159965256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).