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

C22H21N5OS — CID 58094743

IUPAC1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ncc[nH]3)s2)ccn1
InChIInChI=1S/C22H21N5OS/c1-14(28)12-17-13-16(8-9-23-17)22-26-19(20(29-22)21-24-10-11-25-21)15-4-6-18(7-5-15)27(2)3/h4-11,13H,12H2,1-3H3,(H,24,25)
InChIKeySUYVNBDXBWVRSA-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.46
Rot. Bonds6

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

1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one (PubChem CID 58094743) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one
PubChem CID58094743
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ncc[nH]3)s2)ccn1
InChIInChI=1S/C22H21N5OS/c1-14(28)12-17-13-16(8-9-23-17)22-26-19(20(29-22)21-24-10-11-25-21)15-4-6-18(7-5-15)27(2)3/h4-11,13H,12H2,1-3H3,(H,24,25)
InChIKeySUYVNBDXBWVRSA-UHFFFAOYSA-N
XLogP4.46
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one (CID 58094743) is 1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ncc[nH]3)s2)ccn1.
What is the InChIKey of 1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one?
The InChIKey is SUYVNBDXBWVRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c1-14(28)12-17-13-16(8-9-23-17)22-26-19(20(29-22)21-24-10-11-25-21)15-4-6-18(7-5-15)27(2)3/h4-11,13H,12H2,1-3H3,(H,24,25).
What are the key properties of 1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one?
1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one has a molecular weight of 403.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one is sourced from PubChem (CID 58094743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).