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

C22H17ClN2OS — CID 35573590

IUPACN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccc2ccccc12
InChIInChI=1S/C22H17ClN2OS/c23-17-10-8-16(9-11-17)22-25-18(14-27-22)12-13-24-21(26)20-7-3-5-15-4-1-2-6-19(15)20/h1-11,14H,12-13H2,(H,24,26)
InChIKeyNANLOWCRCQJQOC-UHFFFAOYSA-N
MW392.91 g/mol
LogP5.59
Rot. Bonds5

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

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide (PubChem CID 35573590) has the molecular formula C22H17ClN2OS and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
PubChem CID35573590
Molecular FormulaC22H17ClN2OS
Molecular Weight392.91 g/mol
Exact Mass392.08
IUPAC NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccc2ccccc12
InChIInChI=1S/C22H17ClN2OS/c23-17-10-8-16(9-11-17)22-25-18(14-27-22)12-13-24-21(26)20-7-3-5-15-4-1-2-6-19(15)20/h1-11,14H,12-13H2,(H,24,26)
InChIKeyNANLOWCRCQJQOC-UHFFFAOYSA-N
XLogP5.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.91
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-ethoxybenzamide
CID 7518325
3-chloro-2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 146152213
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518421
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 7518338
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 7518387
3-chloro-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzothiophene-2-carboxamide
CID 23613140
2-(4-chlorophenoxy)-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7518324
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
CID 108573158
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide (CID 35573590) is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide is O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccc2ccccc12.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide?
The InChIKey is NANLOWCRCQJQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2OS/c23-17-10-8-16(9-11-17)22-25-18(14-27-22)12-13-24-21(26)20-7-3-5-15-4-1-2-6-19(15)20/h1-11,14H,12-13H2,(H,24,26).
What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide?
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 35573590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).