4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide

C19H14ClN3O2S — CID 23644829

IUPAC4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1scnc1CCc1noc2ccccc12
InChIInChI=1S/C19H14ClN3O2S/c20-12-5-7-13(8-6-12)22-19(24)18-16(21-11-26-18)10-9-15-14-3-1-2-4-17(14)25-23-15/h1-8,11H,9-10H2,(H,22,24)
InChIKeyTWYDWDXNSAXLDL-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.98
Rot. Bonds5

About 4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide

4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 23644829) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is 4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID23644829
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1scnc1CCc1noc2ccccc12
InChIInChI=1S/C19H14ClN3O2S/c20-12-5-7-13(8-6-12)22-19(24)18-16(21-11-26-18)10-9-15-14-3-1-2-4-17(14)25-23-15/h1-8,11H,9-10H2,(H,22,24)
InChIKeyTWYDWDXNSAXLDL-UHFFFAOYSA-N
XLogP4.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide (CID 23644829) is 4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1scnc1CCc1noc2ccccc12.
What is the InChIKey of 4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is TWYDWDXNSAXLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c20-12-5-7-13(8-6-12)22-19(24)18-16(21-11-26-18)10-9-15-14-3-1-2-4-17(14)25-23-15/h1-8,11H,9-10H2,(H,22,24).
What are the key properties of 4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide?
4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 383.86 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23644829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).