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

C22H18N2OS — CID 7119120

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1cccc2ccccc12
InChIInChI=1S/C22H18N2OS/c25-21(20-12-6-10-16-7-4-5-11-19(16)20)23-14-13-18-15-26-22(24-18)17-8-2-1-3-9-17/h1-12,15H,13-14H2,(H,23,25)
InChIKeyHTVJMZIKERNPNT-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.94
Rot. Bonds5

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

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide (PubChem CID 7119120) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide
PubChem CID7119120
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1cccc2ccccc12
InChIInChI=1S/C22H18N2OS/c25-21(20-12-6-10-16-7-4-5-11-19(16)20)23-14-13-18-15-26-22(24-18)17-8-2-1-3-9-17/h1-12,15H,13-14H2,(H,23,25)
InChIKeyHTVJMZIKERNPNT-UHFFFAOYSA-N
XLogP4.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22583819
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CID 22583820
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CID 35344738
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CID 46870676
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CID 84239271
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide (CID 7119120) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide?
The InChIKey is HTVJMZIKERNPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c25-21(20-12-6-10-16-7-4-5-11-19(16)20)23-14-13-18-15-26-22(24-18)17-8-2-1-3-9-17/h1-12,15H,13-14H2,(H,23,25).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 7119120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).