2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide

C16H17N5OS — CID 51093030

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
SMILESCCc1nc(CC(=O)Nc2cccnc2-n2ccnc2C)cs1
InChIInChI=1S/C16H17N5OS/c1-3-15-19-12(10-23-15)9-14(22)20-13-5-4-6-18-16(13)21-8-7-17-11(21)2/h4-8,10H,3,9H2,1-2H3,(H,20,22)
InChIKeyOYGFXQMICMGXDW-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.78
Rot. Bonds5

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide

2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide (PubChem CID 51093030) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
PubChem CID51093030
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
SMILESCCc1nc(CC(=O)Nc2cccnc2-n2ccnc2C)cs1
InChIInChI=1S/C16H17N5OS/c1-3-15-19-12(10-23-15)9-14(22)20-13-5-4-6-18-16(13)21-8-7-17-11(21)2/h4-8,10H,3,9H2,1-2H3,(H,20,22)
InChIKeyOYGFXQMICMGXDW-UHFFFAOYSA-N
XLogP2.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide (CID 51093030) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide is CCc1nc(CC(=O)Nc2cccnc2-n2ccnc2C)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?
The InChIKey is OYGFXQMICMGXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-3-15-19-12(10-23-15)9-14(22)20-13-5-4-6-18-16(13)21-8-7-17-11(21)2/h4-8,10H,3,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?
2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 51093030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).