2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

C16H15ClN2OS2 — CID 22170601

IUPAC2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2csc3ccc(Cl)cc23)s1
InChIInChI=1S/C16H15ClN2OS2/c1-9(2)14-7-18-16(22-14)19-15(20)5-10-8-21-13-4-3-11(17)6-12(10)13/h3-4,6-9H,5H2,1-2H3,(H,18,19,20)
InChIKeyHXWKJVMQNAPKSU-UHFFFAOYSA-N
MW350.90 g/mol
LogP5.32
Rot. Bonds4

About 2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 22170601) has the molecular formula C16H15ClN2OS2 and a molecular weight of 350.90 g/mol. Its IUPAC name is 2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID22170601
Molecular FormulaC16H15ClN2OS2
Molecular Weight350.90 g/mol
Exact Mass350.03
IUPAC Name2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2csc3ccc(Cl)cc23)s1
InChIInChI=1S/C16H15ClN2OS2/c1-9(2)14-7-18-16(22-14)19-15(20)5-10-8-21-13-4-3-11(17)6-12(10)13/h3-4,6-9H,5H2,1-2H3,(H,18,19,20)
InChIKeyHXWKJVMQNAPKSU-UHFFFAOYSA-N
XLogP5.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.90
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 22170601) is 2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1cnc(NC(=O)Cc2csc3ccc(Cl)cc23)s1.
What is the InChIKey of 2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HXWKJVMQNAPKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS2/c1-9(2)14-7-18-16(22-14)19-15(20)5-10-8-21-13-4-3-11(17)6-12(10)13/h3-4,6-9H,5H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 350.90 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 22170601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).