2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine

C9H13N5OS — CID 103436831

IUPAC2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
SMILESCc1nc(C)c(C(C)Nc2nnc(N)o2)s1
InChIInChI=1S/C9H13N5OS/c1-4-7(16-6(3)11-4)5(2)12-9-14-13-8(10)15-9/h5H,1-3H3,(H2,10,13)(H,12,14)
InChIKeyOEAQXIQRERHDNH-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.90
Rot. Bonds3

About 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine

2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436831) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436831
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
SMILESCc1nc(C)c(C(C)Nc2nnc(N)o2)s1
InChIInChI=1S/C9H13N5OS/c1-4-7(16-6(3)11-4)5(2)12-9-14-13-8(10)15-9/h5H,1-3H3,(H2,10,13)(H,12,14)
InChIKeyOEAQXIQRERHDNH-UHFFFAOYSA-N
XLogP1.90
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine (CID 103436831) is 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine is Cc1nc(C)c(C(C)Nc2nnc(N)o2)s1.
What is the InChIKey of 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is OEAQXIQRERHDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-4-7(16-6(3)11-4)5(2)12-9-14-13-8(10)15-9/h5H,1-3H3,(H2,10,13)(H,12,14).
What are the key properties of 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine?
2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 239.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).