N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

C18H25N5O3S — CID 110248469

IUPACN-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1noc(CCC(=O)N2CCCC(NC(=O)c3scnc3C)CC2)n1
InChIInChI=1S/C18H25N5O3S/c1-3-14-21-15(26-22-14)6-7-16(24)23-9-4-5-13(8-10-23)20-18(25)17-12(2)19-11-27-17/h11,13H,3-10H2,1-2H3,(H,20,25)
InChIKeyMWCRCPONVXFBLP-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.14
Rot. Bonds6

About N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110248469) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID110248469
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1noc(CCC(=O)N2CCCC(NC(=O)c3scnc3C)CC2)n1
InChIInChI=1S/C18H25N5O3S/c1-3-14-21-15(26-22-14)6-7-16(24)23-9-4-5-13(8-10-23)20-18(25)17-12(2)19-11-27-17/h11,13H,3-10H2,1-2H3,(H,20,25)
InChIKeyMWCRCPONVXFBLP-UHFFFAOYSA-N
XLogP2.14
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51100554
4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49448670
4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49362488
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60607390
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92623338
N-[1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55822643
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110264319
4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide
CID 92634449
N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114296876
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 62355730
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(piperidine-1-carbonyl)morpholin-4-yl]propan-1-one
CID 110246379
N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49449071

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 110248469) is N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is CCc1noc(CCC(=O)N2CCCC(NC(=O)c3scnc3C)CC2)n1.
What is the InChIKey of N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MWCRCPONVXFBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-3-14-21-15(26-22-14)6-7-16(24)23-9-4-5-13(8-10-23)20-18(25)17-12(2)19-11-27-17/h11,13H,3-10H2,1-2H3,(H,20,25).
What are the key properties of N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110248469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).