5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine

C15H16N4OS — CID 72900565

IUPAC5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(N(C)Cc2csc(-c3ccccc3)n2)o1
InChIInChI=1S/C15H16N4OS/c1-3-13-17-18-15(20-13)19(2)9-12-10-21-14(16-12)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyJUUWPWQUNZHIOW-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.39
Rot. Bonds5

About 5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine

5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 72900565) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID72900565
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(N(C)Cc2csc(-c3ccccc3)n2)o1
InChIInChI=1S/C15H16N4OS/c1-3-13-17-18-15(20-13)19(2)9-12-10-21-14(16-12)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyJUUWPWQUNZHIOW-UHFFFAOYSA-N
XLogP3.39
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
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2-ethyl-5-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
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N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
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1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 17277663
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 55354062
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 139229606
3-[ethyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]butanoic acid
CID 62828179
5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963296
1,1-diethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 72900565) is 5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine is CCc1nnc(N(C)Cc2csc(-c3ccccc3)n2)o1.
What is the InChIKey of 5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JUUWPWQUNZHIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-3-13-17-18-15(20-13)19(2)9-12-10-21-14(16-12)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 300.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72900565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).