2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione

C15H21N3O2S — CID 79917965

IUPAC2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
SMILESCCC(c1nccs1)N1CCC(=O)N2CCCCC2C1=O
InChIInChI=1S/C15H21N3O2S/c1-2-11(14-16-7-10-21-14)18-9-6-13(19)17-8-4-3-5-12(17)15(18)20/h7,10-12H,2-6,8-9H2,1H3
InChIKeyUQHNVEYZMIAVRQ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.21
Rot. Bonds3

About 2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione

2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione (PubChem CID 79917965) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
PubChem CID79917965
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
SMILESCCC(c1nccs1)N1CCC(=O)N2CCCCC2C1=O
InChIInChI=1S/C15H21N3O2S/c1-2-11(14-16-7-10-21-14)18-9-6-13(19)17-8-4-3-5-12(17)15(18)20/h7,10-12H,2-6,8-9H2,1H3
InChIKeyUQHNVEYZMIAVRQ-UHFFFAOYSA-N
XLogP2.21
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione with MolForge

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Related Compounds

2-[Cyclopropyl(methyl)amino]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 72122391
1-{2-[Methyl(1,3-thiazol-2-ylmethyl)amino]ethyl}piperidin-2-one
CID 74248707
3-[Methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
CID 75431807
N-ethyl-2-(2-oxopiperidin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 84589758
N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 95901050
N-(2-oxo-2-piperidin-1-ylethyl)-4-(1,3-thiazol-2-yl)butanamide
CID 121526855
3-[2-(1,3-Thiazol-2-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 121528137
(3R)-3-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124556485
(3R)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124556486
(3S)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124726578
(3S)-3-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124726579
3-(Methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one
CID 20589830

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
The IUPAC name of 2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione (CID 79917965) is 2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione.
What is the SMILES notation for 2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
The canonical SMILES for 2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione is CCC(c1nccs1)N1CCC(=O)N2CCCCC2C1=O.
What is the InChIKey of 2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
The InChIKey is UQHNVEYZMIAVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-11(14-16-7-10-21-14)18-9-6-13(19)17-8-4-3-5-12(17)15(18)20/h7,10-12H,2-6,8-9H2,1H3.
What are the key properties of 2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione has a molecular weight of 307.42 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione is sourced from PubChem (CID 79917965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).