N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide

C22H17Cl2N3OS — CID 5205911

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1csc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C22H17Cl2N3OS/c23-16-9-8-15(18(24)12-16)10-11-25-21(28)20-13-29-22(27-20)26-19-7-3-5-14-4-1-2-6-17(14)19/h1-9,12-13H,10-11H2,(H,25,28)(H,26,27)
InChIKeyUWFJNCLWWBFPEX-UHFFFAOYSA-N
MW442.37 g/mol
LogP6.32
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 5205911) has the molecular formula C22H17Cl2N3OS and a molecular weight of 442.37 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID5205911
Molecular FormulaC22H17Cl2N3OS
Molecular Weight442.37 g/mol
Exact Mass441.05
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1csc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C22H17Cl2N3OS/c23-16-9-8-15(18(24)12-16)10-11-25-21(28)20-13-29-22(27-20)26-19-7-3-5-14-4-1-2-6-17(14)19/h1-9,12-13H,10-11H2,(H,25,28)(H,26,27)
InChIKeyUWFJNCLWWBFPEX-UHFFFAOYSA-N
XLogP6.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.37
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide
CID 62233257
N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 3983544
2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948837
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CID 10406200
2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
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N-[2-(2,4-dichlorophenyl)ethyl]-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4213496
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CID 2713418
N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 50830719
N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110695986
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide (CID 5205911) is N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)c1csc(Nc2cccc3ccccc23)n1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is UWFJNCLWWBFPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3OS/c23-16-9-8-15(18(24)12-16)10-11-25-21(28)20-13-29-22(27-20)26-19-7-3-5-14-4-1-2-6-17(14)19/h1-9,12-13H,10-11H2,(H,25,28)(H,26,27).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 442.37 g/mol, XLogP of 6.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5205911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).