2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

C17H12Cl2N2OS2 — CID 21408453

IUPAC2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H12Cl2N2OS2/c18-12-5-1-10(2-6-12)15-16(11-3-7-13(19)8-4-11)24-17(21-15)23-9-14(20)22/h1-8H,9H2,(H2,20,22)
InChIKeyINECFKQLDKMDNG-UHFFFAOYSA-N
MW395.34 g/mol
LogP5.36
Rot. Bonds5

About 2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 21408453) has the molecular formula C17H12Cl2N2OS2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID21408453
Molecular FormulaC17H12Cl2N2OS2
Molecular Weight395.34 g/mol
Exact Mass393.98
IUPAC Name2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H12Cl2N2OS2/c18-12-5-1-10(2-6-12)15-16(11-3-7-13(19)8-4-11)24-17(21-15)23-9-14(20)22/h1-8H,9H2,(H2,20,22)
InChIKeyINECFKQLDKMDNG-UHFFFAOYSA-N
XLogP5.36
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.34
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 21408453) is 2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is INECFKQLDKMDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS2/c18-12-5-1-10(2-6-12)15-16(11-3-7-13(19)8-4-11)24-17(21-15)23-9-14(20)22/h1-8H,9H2,(H2,20,22).
What are the key properties of 2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 395.34 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 21408453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).