N-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide

C12H9N3OS — CID 11615675

IUPACN-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C#Cc2cccnc2)cs1
InChIInChI=1S/C12H9N3OS/c1-9(16)14-12-15-11(8-17-12)5-4-10-3-2-6-13-7-10/h2-3,6-8H,1H3,(H,14,15,16)
InChIKeyLNYMBABMFUHLAP-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.90
Rot. Bonds1

About N-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide

N-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 11615675) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is N-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide
PubChem CID11615675
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC NameN-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C#Cc2cccnc2)cs1
InChIInChI=1S/C12H9N3OS/c1-9(16)14-12-15-11(8-17-12)5-4-10-3-2-6-13-7-10/h2-3,6-8H,1H3,(H,14,15,16)
InChIKeyLNYMBABMFUHLAP-UHFFFAOYSA-N
XLogP1.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 750531
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CID 973066
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CID 203433
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CID 930237
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CID 135135317
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CID 746667
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CID 972880
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CID 4119262
CID 4119262

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide (CID 11615675) is N-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C#Cc2cccnc2)cs1.
What is the InChIKey of N-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LNYMBABMFUHLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-9(16)14-12-15-11(8-17-12)5-4-10-3-2-6-13-7-10/h2-3,6-8H,1H3,(H,14,15,16).
What are the key properties of N-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 243.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11615675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).