N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine

C17H17N7OS — CID 95551886

IUPACN,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine
SMILESC[C@@H](c1nc(-c2cccnc2)no1)n1ccnc1-c1cnc(N(C)C)s1
InChIInChI=1S/C17H17N7OS/c1-11(16-21-14(22-25-16)12-5-4-6-18-9-12)24-8-7-19-15(24)13-10-20-17(26-13)23(2)3/h4-11H,1-3H3/t11-/m0/s1
InChIKeyLAYGVKQCQHQXHD-NSHDSACASA-N
MW367.44 g/mol
LogP3.13
Rot. Bonds5

About N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine

N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine (PubChem CID 95551886) has the molecular formula C17H17N7OS and a molecular weight of 367.44 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine
PubChem CID95551886
Molecular FormulaC17H17N7OS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC NameN,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine
SMILESC[C@@H](c1nc(-c2cccnc2)no1)n1ccnc1-c1cnc(N(C)C)s1
InChIInChI=1S/C17H17N7OS/c1-11(16-21-14(22-25-16)12-5-4-6-18-9-12)24-8-7-19-15(24)13-10-20-17(26-13)23(2)3/h4-11H,1-3H3/t11-/m0/s1
InChIKeyLAYGVKQCQHQXHD-NSHDSACASA-N
XLogP3.13
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 95545239
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
(1S,2R)-1-amino-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 29300337
1-methyl-1-(5-pyridin-3-yl-1,3-thiazol-2-yl)hydrazine
CID 142305016
formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 163338192
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,2-diphenylacetate
CID 46688129
3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56863914
(3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 120761263
3-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133443819
5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 51930936
5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 25421917

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine (CID 95551886) is N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine is C[C@@H](c1nc(-c2cccnc2)no1)n1ccnc1-c1cnc(N(C)C)s1.
What is the InChIKey of N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine?
The InChIKey is LAYGVKQCQHQXHD-NSHDSACASA-N. The full InChI is InChI=1S/C17H17N7OS/c1-11(16-21-14(22-25-16)12-5-4-6-18-9-12)24-8-7-19-15(24)13-10-20-17(26-13)23(2)3/h4-11H,1-3H3/t11-/m0/s1.
What are the key properties of N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine?
N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine has a molecular weight of 367.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95551886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).