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

C15H12ClN3OS3 — CID 3223884

IUPAC2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)s1
InChIInChI=1S/C15H12ClN3OS3/c1-9-6-17-14(23-9)19-13(20)8-22-15-18-12(7-21-15)10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,17,19,20)
InChIKeyBPHJKHHAFDSQSS-UHFFFAOYSA-N
MW381.94 g/mol
LogP4.96
Rot. Bonds5

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

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3223884) has the molecular formula C15H12ClN3OS3 and a molecular weight of 381.94 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID3223884
Molecular FormulaC15H12ClN3OS3
Molecular Weight381.94 g/mol
Exact Mass380.98
IUPAC Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)s1
InChIInChI=1S/C15H12ClN3OS3/c1-9-6-17-14(23-9)19-13(20)8-22-15-18-12(7-21-15)10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,17,19,20)
InChIKeyBPHJKHHAFDSQSS-UHFFFAOYSA-N
XLogP4.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.94
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 3223884) is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)s1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BPHJKHHAFDSQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS3/c1-9-6-17-14(23-9)19-13(20)8-22-15-18-12(7-21-15)10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,17,19,20).
What are the key properties of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 381.94 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3223884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).