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

C10H13ClN4OS — CID 72860818

IUPACN-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NCCc2nc(C)c(Cl)s2)o1
InChIInChI=1S/C10H13ClN4OS/c1-3-7-14-15-10(16-7)12-5-4-8-13-6(2)9(11)17-8/h3-5H2,1-2H3,(H,12,15)
InChIKeyLJTAKFUQTGYFLS-UHFFFAOYSA-N
MW272.76 g/mol
LogP2.70
Rot. Bonds5

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

N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine (PubChem CID 72860818) has the molecular formula C10H13ClN4OS and a molecular weight of 272.76 g/mol. Its IUPAC name is N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine
PubChem CID72860818
Molecular FormulaC10H13ClN4OS
Molecular Weight272.76 g/mol
Exact Mass272.05
IUPAC NameN-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NCCc2nc(C)c(Cl)s2)o1
InChIInChI=1S/C10H13ClN4OS/c1-3-7-14-15-10(16-7)12-5-4-8-13-6(2)9(11)17-8/h3-5H2,1-2H3,(H,12,15)
InChIKeyLJTAKFUQTGYFLS-UHFFFAOYSA-N
XLogP2.70
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine (CID 72860818) is N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine is CCc1nnc(NCCc2nc(C)c(Cl)s2)o1.
What is the InChIKey of N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The InChIKey is LJTAKFUQTGYFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4OS/c1-3-7-14-15-10(16-7)12-5-4-8-13-6(2)9(11)17-8/h3-5H2,1-2H3,(H,12,15).
What are the key properties of N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine has a molecular weight of 272.76 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72860818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).