[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone

C15H20N4O2S — CID 110808440

IUPAC[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(c1cccnc1)N1CCCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C15H20N4O2S/c20-14(12-3-1-4-16-9-12)18-5-2-6-19(8-7-18)15(21)13-10-22-11-17-13/h1,3-4,9,13,17H,2,5-8,10-11H2
InChIKeyDEGARIIGJLXGKB-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.42
Rot. Bonds2

About [4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone

[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 110808440) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is [4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID110808440
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(c1cccnc1)N1CCCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C15H20N4O2S/c20-14(12-3-1-4-16-9-12)18-5-2-6-19(8-7-18)15(21)13-10-22-11-17-13/h1,3-4,9,13,17H,2,5-8,10-11H2
InChIKeyDEGARIIGJLXGKB-UHFFFAOYSA-N
XLogP0.42
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110814149
pyridin-3-yl-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808493
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110802108
[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110814520
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 110808437
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 60937367
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 84550235
(3,4-difluorophenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798837
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108533126
4-[4-(pyridine-3-carbonyl)-1,4-diazepane-1-carbonyl]-2,3-dihydroinden-1-one
CID 135105818

Frequently Asked Questions

What is the IUPAC name of [4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 110808440) is [4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone is O=C(c1cccnc1)N1CCCN(C(=O)C2CSCN2)CC1.
What is the InChIKey of [4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is DEGARIIGJLXGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c20-14(12-3-1-4-16-9-12)18-5-2-6-19(8-7-18)15(21)13-10-22-11-17-13/h1,3-4,9,13,17H,2,5-8,10-11H2.
What are the key properties of [4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 320.42 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 110808440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).