2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide

C17H17N3O2S — CID 146190212

IUPAC2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESN#CCC(=O)Nc1nc(-c2ccccc2)c(C2CCOCC2)s1
InChIInChI=1S/C17H17N3O2S/c18-9-6-14(21)19-17-20-15(12-4-2-1-3-5-12)16(23-17)13-7-10-22-11-8-13/h1-5,13H,6-8,10-11H2,(H,19,20,21)
InChIKeyMHENNTXOHQSCCY-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.56
Rot. Bonds4

About 2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide

2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide (PubChem CID 146190212) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
PubChem CID146190212
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESN#CCC(=O)Nc1nc(-c2ccccc2)c(C2CCOCC2)s1
InChIInChI=1S/C17H17N3O2S/c18-9-6-14(21)19-17-20-15(12-4-2-1-3-5-12)16(23-17)13-7-10-22-11-8-13/h1-5,13H,6-8,10-11H2,(H,19,20,21)
InChIKeyMHENNTXOHQSCCY-UHFFFAOYSA-N
XLogP3.56
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide (CID 146190212) is 2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide is N#CCC(=O)Nc1nc(-c2ccccc2)c(C2CCOCC2)s1.
What is the InChIKey of 2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is MHENNTXOHQSCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c18-9-6-14(21)19-17-20-15(12-4-2-1-3-5-12)16(23-17)13-7-10-22-11-8-13/h1-5,13H,6-8,10-11H2,(H,19,20,21).
What are the key properties of 2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146190212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).