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

C12H16N4O2S — CID 29154225

IUPACN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1noc(CCNC(=O)c2sc(C)nc2C)n1
InChIInChI=1S/C12H16N4O2S/c1-4-9-15-10(18-16-9)5-6-13-12(17)11-7(2)14-8(3)19-11/h4-6H2,1-3H3,(H,13,17)
InChIKeyYWCVMOWDAPHLKW-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.68
Rot. Bonds5

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

N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 29154225) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID29154225
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1noc(CCNC(=O)c2sc(C)nc2C)n1
InChIInChI=1S/C12H16N4O2S/c1-4-9-15-10(18-16-9)5-6-13-12(17)11-7(2)14-8(3)19-11/h4-6H2,1-3H3,(H,13,17)
InChIKeyYWCVMOWDAPHLKW-UHFFFAOYSA-N
XLogP1.68
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 29154225) is N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is CCc1noc(CCNC(=O)c2sc(C)nc2C)n1.
What is the InChIKey of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is YWCVMOWDAPHLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-4-9-15-10(18-16-9)5-6-13-12(17)11-7(2)14-8(3)19-11/h4-6H2,1-3H3,(H,13,17).
What are the key properties of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 29154225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).