N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide

C20H18ClN3O2S2 — CID 16900041

IUPACN-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H18ClN3O2S2/c1-13(25)22-16-6-8-17(9-7-16)23-19(26)10-18-12-28-20(24-18)27-11-14-2-4-15(21)5-3-14/h2-9,12H,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyMXRDQNSAIQDHOM-UHFFFAOYSA-N
MW431.97 g/mol
LogP5.23
Rot. Bonds7

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

N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 16900041) has the molecular formula C20H18ClN3O2S2 and a molecular weight of 431.97 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
PubChem CID16900041
Molecular FormulaC20H18ClN3O2S2
Molecular Weight431.97 g/mol
Exact Mass431.05
IUPAC NameN-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H18ClN3O2S2/c1-13(25)22-16-6-8-17(9-7-16)23-19(26)10-18-12-28-20(24-18)27-11-14-2-4-15(21)5-3-14/h2-9,12H,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyMXRDQNSAIQDHOM-UHFFFAOYSA-N
XLogP5.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-chlorophenyl)acetamide
CID 16898739
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 16899982
N-(4-acetylphenyl)-2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900113
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899931
2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-phenylacetamide
CID 16899303
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 16900109
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16899938
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-bromophenyl)acetamide
CID 16898741
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 16898772
N-(3-chloro-4-fluorophenyl)-2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16899743
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 26841633
N-(4-acetamidophenyl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 25284491

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide (CID 16900041) is N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide is CC(=O)Nc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is MXRDQNSAIQDHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S2/c1-13(25)22-16-6-8-17(9-7-16)23-19(26)10-18-12-28-20(24-18)27-11-14-2-4-15(21)5-3-14/h2-9,12H,10-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 431.97 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16900041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).