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

C9H12N4OS — CID 61325491

IUPAC2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1ncsc1-c1nc(C(C)(C)N)no1
InChIInChI=1S/C9H12N4OS/c1-5-6(15-4-11-5)7-12-8(13-14-7)9(2,3)10/h4H,10H2,1-3H3
InChIKeyYGKUIJKBWAOMRL-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.70
Rot. Bonds2

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

2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 61325491) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID61325491
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1ncsc1-c1nc(C(C)(C)N)no1
InChIInChI=1S/C9H12N4OS/c1-5-6(15-4-11-5)7-12-8(13-14-7)9(2,3)10/h4H,10H2,1-3H3
InChIKeyYGKUIJKBWAOMRL-UHFFFAOYSA-N
XLogP1.70
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 61325491) is 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is Cc1ncsc1-c1nc(C(C)(C)N)no1.
What is the InChIKey of 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is YGKUIJKBWAOMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-5-6(15-4-11-5)7-12-8(13-14-7)9(2,3)10/h4H,10H2,1-3H3.
What are the key properties of 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 224.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 61325491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).