1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one

C19H24N4O2S — CID 166108063

IUPAC1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nc(-c3ccncc3)cs2)N(C(=O)CC)CC1
InChIInChI=1S/C19H24N4O2S/c1-3-17(24)22-10-7-16(23(12-11-22)18(25)4-2)19-21-15(13-26-19)14-5-8-20-9-6-14/h5-6,8-9,13,16H,3-4,7,10-12H2,1-2H3
InChIKeyAWXOUYZFZLSCAU-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.13
Rot. Bonds4

About 1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one

1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one (PubChem CID 166108063) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
PubChem CID166108063
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nc(-c3ccncc3)cs2)N(C(=O)CC)CC1
InChIInChI=1S/C19H24N4O2S/c1-3-17(24)22-10-7-16(23(12-11-22)18(25)4-2)19-21-15(13-26-19)14-5-8-20-9-6-14/h5-6,8-9,13,16H,3-4,7,10-12H2,1-2H3
InChIKeyAWXOUYZFZLSCAU-UHFFFAOYSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-acetyl-7-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-oxoethoxy]benzonitrile
CID 166108009
1-[4-acetyl-7-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-(4-methylsulfonylphenoxy)ethanone
CID 166108101
1-[4-(cyclohexanecarbonyl)-7-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 166108079
2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
CID 67479701
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[4-(piperidine-4-carbonyl)-7-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 166473662
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 154836877
(4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75463147
1-[4-acetyl-7-[4-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 166108096
1-[4-acetyl-7-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 166108073
1-(4-ethylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]ethanone
CID 110300182
1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647606
(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 99806155

Frequently Asked Questions

What is the IUPAC name of 1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one?
The IUPAC name of 1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one (CID 166108063) is 1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one?
The canonical SMILES for 1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one is CCC(=O)N1CCC(c2nc(-c3ccncc3)cs2)N(C(=O)CC)CC1.
What is the InChIKey of 1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one?
The InChIKey is AWXOUYZFZLSCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-3-17(24)22-10-7-16(23(12-11-22)18(25)4-2)19-21-15(13-26-19)14-5-8-20-9-6-14/h5-6,8-9,13,16H,3-4,7,10-12H2,1-2H3.
What are the key properties of 1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one?
1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one has a molecular weight of 372.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one is sourced from PubChem (CID 166108063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).