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

C26H18N2O2S — CID 4111369

IUPACN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccc2ccccc2c1
InChIInChI=1S/C26H18N2O2S/c29-25(21-11-10-18-6-4-5-7-20(18)16-21)28-26-27-24(17-31-26)19-12-14-23(15-13-19)30-22-8-2-1-3-9-22/h1-17H,(H,27,28,29)
InChIKeyNTYSEGVQLTXGGI-UHFFFAOYSA-N
MW422.51 g/mol
LogP7.01
Rot. Bonds5

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

N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide (PubChem CID 4111369) has the molecular formula C26H18N2O2S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
PubChem CID4111369
Molecular FormulaC26H18N2O2S
Molecular Weight422.51 g/mol
Exact Mass422.11
IUPAC NameN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccc2ccccc2c1
InChIInChI=1S/C26H18N2O2S/c29-25(21-11-10-18-6-4-5-7-20(18)16-21)28-26-27-24(17-31-26)19-12-14-23(15-13-19)30-22-8-2-1-3-9-22/h1-17H,(H,27,28,29)
InChIKeyNTYSEGVQLTXGGI-UHFFFAOYSA-N
XLogP7.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16799635
3-nitro-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4133281
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718079
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 3542120
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87406747

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide (CID 4111369) is N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide is O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The InChIKey is NTYSEGVQLTXGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2S/c29-25(21-11-10-18-6-4-5-7-20(18)16-21)28-26-27-24(17-31-26)19-12-14-23(15-13-19)30-22-8-2-1-3-9-22/h1-17H,(H,27,28,29).
What are the key properties of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 7.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 4111369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).