N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide

C11H9N5OS2 — CID 155526029

IUPACN-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2cccs2)nn1)Nc1nccs1
InChIInChI=1S/C11H9N5OS2/c17-10(13-11-12-3-5-19-11)7-16-6-8(14-15-16)9-2-1-4-18-9/h1-6H,7H2,(H,12,13,17)
InChIKeyVESDAMGXFAGKOJ-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.10
Rot. Bonds4

About N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide

N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide (PubChem CID 155526029) has the molecular formula C11H9N5OS2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide
PubChem CID155526029
Molecular FormulaC11H9N5OS2
Molecular Weight291.36 g/mol
Exact Mass291.02
IUPAC NameN-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2cccs2)nn1)Nc1nccs1
InChIInChI=1S/C11H9N5OS2/c17-10(13-11-12-3-5-19-11)7-16-6-8(14-15-16)9-2-1-4-18-9/h1-6H,7H2,(H,12,13,17)
InChIKeyVESDAMGXFAGKOJ-UHFFFAOYSA-N
XLogP2.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide (CID 155526029) is N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide is O=C(Cn1cc(-c2cccs2)nn1)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide?
The InChIKey is VESDAMGXFAGKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS2/c17-10(13-11-12-3-5-19-11)7-16-6-8(14-15-16)9-2-1-4-18-9/h1-6H,7H2,(H,12,13,17).
What are the key properties of N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide?
N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide has a molecular weight of 291.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide is sourced from PubChem (CID 155526029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).