1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide

C34H22N4O2S2 — CID 5130675

IUPAC1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C34H22N4O2S2/c39-31(37-33-35-29(19-41-33)27-15-9-21-5-1-3-7-25(21)17-27)23-11-13-24(14-12-23)32(40)38-34-36-30(20-42-34)28-16-10-22-6-2-4-8-26(22)18-28/h1-20H,(H,35,37,39)(H,36,38,40)
InChIKeyPMBADPHQPAEPCO-UHFFFAOYSA-N
MW582.71 g/mol
LogP8.74
Rot. Bonds6

About 1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide

1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide (PubChem CID 5130675) has the molecular formula C34H22N4O2S2 and a molecular weight of 582.71 g/mol. Its IUPAC name is 1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
PubChem CID5130675
Molecular FormulaC34H22N4O2S2
Molecular Weight582.71 g/mol
Exact Mass582.12
IUPAC Name1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C34H22N4O2S2/c39-31(37-33-35-29(19-41-33)27-15-9-21-5-1-3-7-25(21)17-27)23-11-13-24(14-12-23)32(40)38-34-36-30(20-42-34)28-16-10-22-6-2-4-8-26(22)18-28/h1-20H,(H,35,37,39)(H,36,38,40)
InChIKeyPMBADPHQPAEPCO-UHFFFAOYSA-N
XLogP8.74
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 58.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
3-methoxy-4-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 18229856
3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 5147525
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 3433357
4-[(4-fluorophenyl)sulfonylamino]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 121044337
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784691

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide (CID 5130675) is 1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The InChIKey is PMBADPHQPAEPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O2S2/c39-31(37-33-35-29(19-41-33)27-15-9-21-5-1-3-7-25(21)17-27)23-11-13-24(14-12-23)32(40)38-34-36-30(20-42-34)28-16-10-22-6-2-4-8-26(22)18-28/h1-20H,(H,35,37,39)(H,36,38,40).
What are the key properties of 1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide has a molecular weight of 582.71 g/mol, XLogP of 8.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 5130675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).