(4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide

C18H30N4O2S — CID 75411824

IUPAC(4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC[C@H](CN(C(=O)C1)C)NCC2=NC=CS2
InChIInChI=1S/C18H30N4O2S/c1-4-22(5-2)18(24)14-7-6-8-15(13-21(3)17(23)11-14)20-12-16-19-9-10-25-16/h9-10,14-15,20H,4-8,11-13H2,1-3H3/t14-,15-/m1/s1
InChIKeyKOWCNWLPKRYPFV-HUUCEWRRSA-N
MW366.50 g/mol
LogP0.90
Rot. Bonds6

About (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide

(4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide (PubChem CID 75411824) has the molecular formula C18H30N4O2S and a molecular weight of 366.50 g/mol. Its IUPAC name is (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide
PubChem CID75411824
Molecular FormulaC18H30N4O2S
Molecular Weight366.50 g/mol
Exact Mass366.21
IUPAC Name(4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC[C@H](CN(C(=O)C1)C)NCC2=NC=CS2
InChIInChI=1S/C18H30N4O2S/c1-4-22(5-2)18(24)14-7-6-8-15(13-21(3)17(23)11-14)20-12-16-19-9-10-25-16/h9-10,14-15,20H,4-8,11-13H2,1-3H3/t14-,15-/m1/s1
InChIKeyKOWCNWLPKRYPFV-HUUCEWRRSA-N
XLogP0.90
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity445

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide with MolForge

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Related Compounds

Cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone
CID 84595435
Cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84595438
(4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide
CID 75411835
(4R,8R)-1-methyl-N-(oxan-4-yl)-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide
CID 75529728
2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630331
Sdccgsbi-0117438.P001
CID 26412149
N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-2-carboxamide
CID 53361860
4-Methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one
CID 20589972
5-Methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one
CID 20590066
6-Methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one
CID 20590156
7,7-Dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one
CID 20590251
4-Methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 21366220

Frequently Asked Questions

What is the IUPAC name of (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide?
The IUPAC name of (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide (CID 75411824) is (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide?
The canonical SMILES for (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide is CCN(CC)C(=O)[C@@H]1CCC[C@H](CN(C(=O)C1)C)NCC2=NC=CS2.
What is the InChIKey of (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide?
The InChIKey is KOWCNWLPKRYPFV-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-4-22(5-2)18(24)14-7-6-8-15(13-21(3)17(23)11-14)20-12-16-19-9-10-25-16/h9-10,14-15,20H,4-8,11-13H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide?
(4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide is sourced from PubChem (CID 75411824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).