N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide

C19H22Cl2N2OS2 — CID 16900243

IUPACN-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(SCc2ccc(Cl)cc2Cl)n1)NCC1CCCCC1
InChIInChI=1S/C19H22Cl2N2OS2/c20-15-7-6-14(17(21)8-15)11-25-19-23-16(12-26-19)9-18(24)22-10-13-4-2-1-3-5-13/h6-8,12-13H,1-5,9-11H2,(H,22,24)
InChIKeyXYQKFAGAJKQQEL-UHFFFAOYSA-N
MW429.44 g/mol
LogP5.98
Rot. Bonds7

About N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide

N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 16900243) has the molecular formula C19H22Cl2N2OS2 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
PubChem CID16900243
Molecular FormulaC19H22Cl2N2OS2
Molecular Weight429.44 g/mol
Exact Mass428.06
IUPAC NameN-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(SCc2ccc(Cl)cc2Cl)n1)NCC1CCCCC1
InChIInChI=1S/C19H22Cl2N2OS2/c20-15-7-6-14(17(21)8-15)11-25-19-23-16(12-26-19)9-18(24)22-10-13-4-2-1-3-5-13/h6-8,12-13H,1-5,9-11H2,(H,22,24)
InChIKeyXYQKFAGAJKQQEL-UHFFFAOYSA-N
XLogP5.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 16900183
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 16900185
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide
CID 16900186
N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899514
N-(cyclobutylmethyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide
CID 60578541
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 16900220
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40844012
2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide
CID 16899277
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16899938
2-[2-[1-tert-butyl-5-(3-chlorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 90191755
2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 59009098

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide (CID 16900243) is N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(SCc2ccc(Cl)cc2Cl)n1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is XYQKFAGAJKQQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2OS2/c20-15-7-6-14(17(21)8-15)11-25-19-23-16(12-26-19)9-18(24)22-10-13-4-2-1-3-5-13/h6-8,12-13H,1-5,9-11H2,(H,22,24).
What are the key properties of N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 429.44 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16900243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).