2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide

C33H21N5O2S2 — CID 4195615

IUPAC2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)n1
InChIInChI=1S/C33H21N5O2S2/c39-30(37-32-35-28(18-41-32)24-14-12-20-6-1-3-8-22(20)16-24)26-10-5-11-27(34-26)31(40)38-33-36-29(19-42-33)25-15-13-21-7-2-4-9-23(21)17-25/h1-19H,(H,35,37,39)(H,36,38,40)
InChIKeyOWOIFFHXZARODQ-UHFFFAOYSA-N
MW583.70 g/mol
LogP8.14
Rot. Bonds6

About 2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide (PubChem CID 4195615) has the molecular formula C33H21N5O2S2 and a molecular weight of 583.70 g/mol. Its IUPAC name is 2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
PubChem CID4195615
Molecular FormulaC33H21N5O2S2
Molecular Weight583.70 g/mol
Exact Mass583.11
IUPAC Name2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)n1
InChIInChI=1S/C33H21N5O2S2/c39-30(37-32-35-28(18-41-32)24-14-12-20-6-1-3-8-22(20)16-24)26-10-5-11-27(34-26)31(40)38-33-36-29(19-42-33)25-15-13-21-7-2-4-9-23(21)17-25/h1-19H,(H,35,37,39)(H,36,38,40)
InChIKeyOWOIFFHXZARODQ-UHFFFAOYSA-N
XLogP8.14
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.70
LogP ≤ 58.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 4653670
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 4670765
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
5-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 16549476
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212
2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108733446
3-ethylsulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 41028556

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide (CID 4195615) is 2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)n1.
What is the InChIKey of 2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide?
The InChIKey is OWOIFFHXZARODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5O2S2/c39-30(37-32-35-28(18-41-32)24-14-12-20-6-1-3-8-22(20)16-24)26-10-5-11-27(34-26)31(40)38-33-36-29(19-42-33)25-15-13-21-7-2-4-9-23(21)17-25/h1-19H,(H,35,37,39)(H,36,38,40).
What are the key properties of 2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide has a molecular weight of 583.70 g/mol, XLogP of 8.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 4195615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).