N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide

C32H19FN8O2S2 — CID 129301562

IUPACN-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
SMILESO=C(Nc1nc(-c2ccc(-c3cccc(-c4csc(NC(=O)c5ccc6nccnc6c5)n4)n3)cn2)cs1)c1ccc(F)cc1
InChIInChI=1S/C32H19FN8O2S2/c33-21-8-4-18(5-9-21)29(42)40-31-38-27(16-44-31)24-11-7-20(15-36-24)22-2-1-3-25(37-22)28-17-45-32(39-28)41-30(43)19-6-10-23-26(14-19)35-13-12-34-23/h1-17H,(H,38,40,42)(H,39,41,43)
InChIKeyKUSFSOMQPBOTRS-UHFFFAOYSA-N
MW630.69 g/mol
LogP6.98
Rot. Bonds7

About N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide

N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide (PubChem CID 129301562) has the molecular formula C32H19FN8O2S2 and a molecular weight of 630.69 g/mol. Its IUPAC name is N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
PubChem CID129301562
Molecular FormulaC32H19FN8O2S2
Molecular Weight630.69 g/mol
Exact Mass630.11
IUPAC NameN-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
SMILESO=C(Nc1nc(-c2ccc(-c3cccc(-c4csc(NC(=O)c5ccc6nccnc6c5)n4)n3)cn2)cs1)c1ccc(F)cc1
InChIInChI=1S/C32H19FN8O2S2/c33-21-8-4-18(5-9-21)29(42)40-31-38-27(16-44-31)24-11-7-20(15-36-24)22-2-1-3-25(37-22)28-17-45-32(39-28)41-30(43)19-6-10-23-26(14-19)35-13-12-34-23/h1-17H,(H,38,40,42)(H,39,41,43)
InChIKeyKUSFSOMQPBOTRS-UHFFFAOYSA-N
XLogP6.98
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.69
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide with MolForge

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Related Compounds

N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
CID 17449915
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
2-(4-fluorophenyl)-4-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 41164251
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 2477287
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108766703
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 36539472

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide?
The IUPAC name of N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide (CID 129301562) is N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide is O=C(Nc1nc(-c2ccc(-c3cccc(-c4csc(NC(=O)c5ccc6nccnc6c5)n4)n3)cn2)cs1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide?
The InChIKey is KUSFSOMQPBOTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19FN8O2S2/c33-21-8-4-18(5-9-21)29(42)40-31-38-27(16-44-31)24-11-7-20(15-36-24)22-2-1-3-25(37-22)28-17-45-32(39-28)41-30(43)19-6-10-23-26(14-19)35-13-12-34-23/h1-17H,(H,38,40,42)(H,39,41,43).
What are the key properties of N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide?
N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide has a molecular weight of 630.69 g/mol, XLogP of 6.98, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide is sourced from PubChem (CID 129301562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).