N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide

C30H20N6O3S2 — CID 5143831

IUPACN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1
InChIInChI=1S/C30H20N6O3S2/c37-27(35-29-33-25(17-40-29)23-5-1-3-15-31-23)19-7-11-21(12-8-19)39-22-13-9-20(10-14-22)28(38)36-30-34-26(18-41-30)24-6-2-4-16-32-24/h1-18H,(H,33,35,37)(H,34,36,38)
InChIKeyUIQPRRCFAGYART-UHFFFAOYSA-N
MW576.66 g/mol
LogP7.02
Rot. Bonds8

About N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide (PubChem CID 5143831) has the molecular formula C30H20N6O3S2 and a molecular weight of 576.66 g/mol. Its IUPAC name is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide
PubChem CID5143831
Molecular FormulaC30H20N6O3S2
Molecular Weight576.66 g/mol
Exact Mass576.10
IUPAC NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1
InChIInChI=1S/C30H20N6O3S2/c37-27(35-29-33-25(17-40-29)23-5-1-3-15-31-23)19-7-11-21(12-8-19)39-22-13-9-20(10-14-22)28(38)36-30-34-26(18-41-30)24-6-2-4-16-32-24/h1-18H,(H,33,35,37)(H,34,36,38)
InChIKeyUIQPRRCFAGYART-UHFFFAOYSA-N
XLogP7.02
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide?
The IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide (CID 5143831) is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide?
The canonical SMILES for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1.
What is the InChIKey of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide?
The InChIKey is UIQPRRCFAGYART-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N6O3S2/c37-27(35-29-33-25(17-40-29)23-5-1-3-15-31-23)19-7-11-21(12-8-19)39-22-13-9-20(10-14-22)28(38)36-30-34-26(18-41-30)24-6-2-4-16-32-24/h1-18H,(H,33,35,37)(H,34,36,38).
What are the key properties of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide?
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide has a molecular weight of 576.66 g/mol, XLogP of 7.02, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 5143831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).