2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

C19H15N3O2S2 — CID 1008246

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4o3)n2)cc1
InChIInChI=1S/C19H15N3O2S2/c1-12-6-8-13(9-7-12)15-10-25-18(20-15)22-17(23)11-26-19-21-14-4-2-3-5-16(14)24-19/h2-10H,11H2,1H3,(H,20,22,23)
InChIKeyZUGCONAZZVIPGT-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.99
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 1008246) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID1008246
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4o3)n2)cc1
InChIInChI=1S/C19H15N3O2S2/c1-12-6-8-13(9-7-12)15-10-25-18(20-15)22-17(23)11-26-19-21-14-4-2-3-5-16(14)24-19/h2-10H,11H2,1H3,(H,20,22,23)
InChIKeyZUGCONAZZVIPGT-UHFFFAOYSA-N
XLogP4.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 1008246) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4o3)n2)cc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZUGCONAZZVIPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c1-12-6-8-13(9-7-12)15-10-25-18(20-15)22-17(23)11-26-19-21-14-4-2-3-5-16(14)24-19/h2-10H,11H2,1H3,(H,20,22,23).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1008246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).