N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide

C20H12Cl2N2OS — CID 4622509

IUPACN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc2ccccc2c1
InChIInChI=1S/C20H12Cl2N2OS/c21-16-8-7-14(10-17(16)22)18-11-26-20(23-18)24-19(25)15-6-5-12-3-1-2-4-13(12)9-15/h1-11H,(H,23,24,25)
InChIKeyGLZOCUPBYGTLEU-UHFFFAOYSA-N
MW399.30 g/mol
LogP6.52
Rot. Bonds3

About N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide (PubChem CID 4622509) has the molecular formula C20H12Cl2N2OS and a molecular weight of 399.30 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
PubChem CID4622509
Molecular FormulaC20H12Cl2N2OS
Molecular Weight399.30 g/mol
Exact Mass398.00
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc2ccccc2c1
InChIInChI=1S/C20H12Cl2N2OS/c21-16-8-7-14(10-17(16)22)18-11-26-20(23-18)24-19(25)15-6-5-12-3-1-2-4-13(12)9-15/h1-11H,(H,23,24,25)
InChIKeyGLZOCUPBYGTLEU-UHFFFAOYSA-N
XLogP6.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.30
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
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)-4-phenylbenzamide
CID 3120660
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 28861353
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251
2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5121730

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide (CID 4622509) is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide is O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The InChIKey is GLZOCUPBYGTLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2OS/c21-16-8-7-14(10-17(16)22)18-11-26-20(23-18)24-19(25)15-6-5-12-3-1-2-4-13(12)9-15/h1-11H,(H,23,24,25).
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide has a molecular weight of 399.30 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 4622509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).