1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one

C21H18N4OS — CID 58095093

IUPAC1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-c2nc(-c3ccccc3)c(-c3ncc[nH]3)s2)c(C)cn1
InChIInChI=1S/C21H18N4OS/c1-13-12-24-16(10-14(2)26)11-17(13)21-25-18(15-6-4-3-5-7-15)19(27-21)20-22-8-9-23-20/h3-9,11-12H,10H2,1-2H3,(H,22,23)
InChIKeySJOOGCLMKCEORA-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.70
Rot. Bonds5

About 1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one

1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one (PubChem CID 58095093) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one
PubChem CID58095093
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-c2nc(-c3ccccc3)c(-c3ncc[nH]3)s2)c(C)cn1
InChIInChI=1S/C21H18N4OS/c1-13-12-24-16(10-14(2)26)11-17(13)21-25-18(15-6-4-3-5-7-15)19(27-21)20-22-8-9-23-20/h3-9,11-12H,10H2,1-2H3,(H,22,23)
InChIKeySJOOGCLMKCEORA-UHFFFAOYSA-N
XLogP4.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one (CID 58095093) is 1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(-c2nc(-c3ccccc3)c(-c3ncc[nH]3)s2)c(C)cn1.
What is the InChIKey of 1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one?
The InChIKey is SJOOGCLMKCEORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-13-12-24-16(10-14(2)26)11-17(13)21-25-18(15-6-4-3-5-7-15)19(27-21)20-22-8-9-23-20/h3-9,11-12H,10H2,1-2H3,(H,22,23).
What are the key properties of 1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one?
1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one has a molecular weight of 374.47 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one is sourced from PubChem (CID 58095093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).