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

C22H18N2OS — CID 5083822

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C22H18N2OS/c1-2-15-10-12-17(13-11-15)20-14-26-22(23-20)24-21(25)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,2H2,1H3,(H,23,24,25)
InChIKeyHKDJAKCHBSSTME-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.78
Rot. Bonds4

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

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide (PubChem CID 5083822) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
PubChem CID5083822
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C22H18N2OS/c1-2-15-10-12-17(13-11-15)20-14-26-22(23-20)24-21(25)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,2H2,1H3,(H,23,24,25)
InChIKeyHKDJAKCHBSSTME-UHFFFAOYSA-N
XLogP5.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5066416
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 7565481
2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3828512
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
CID 60564262
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 167827153
1-N,2-N-bis[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 5237170
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide
CID 4637733
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 3257856
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 52636195
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1H-pyrrole-2-carboxamide
CID 112795383
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide (CID 5083822) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide is CCc1ccc(-c2csc(NC(=O)c3cccc4ccccc34)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The InChIKey is HKDJAKCHBSSTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-2-15-10-12-17(13-11-15)20-14-26-22(23-20)24-21(25)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,2H2,1H3,(H,23,24,25).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 5083822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).