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

C10H12N4O3S — CID 122556515

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOCCc1noc(CNC(=O)c2cscn2)n1
InChIInChI=1S/C10H12N4O3S/c1-16-3-2-8-13-9(17-14-8)4-11-10(15)7-5-18-6-12-7/h5-6H,2-4H2,1H3,(H,11,15)
InChIKeyKPUWYBZBEOYRSE-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.64
Rot. Bonds6

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

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 122556515) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID122556515
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOCCc1noc(CNC(=O)c2cscn2)n1
InChIInChI=1S/C10H12N4O3S/c1-16-3-2-8-13-9(17-14-8)4-11-10(15)7-5-18-6-12-7/h5-6H,2-4H2,1H3,(H,11,15)
InChIKeyKPUWYBZBEOYRSE-UHFFFAOYSA-N
XLogP0.64
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide
CID 122569344
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 122562885
(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126427659
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 112689477
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 154820587
1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 75530723
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 163334504
5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
CID 91796432
7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide
CID 166386581
1-(2,6-dimethoxy-3-pyridinyl)-3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 72863828
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylcyclohexane-1-carboxamide
CID 118787223
N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 130899202

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide (CID 122556515) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide is COCCc1noc(CNC(=O)c2cscn2)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KPUWYBZBEOYRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-16-3-2-8-13-9(17-14-8)4-11-10(15)7-5-18-6-12-7/h5-6H,2-4H2,1H3,(H,11,15).
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 268.30 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122556515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).