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

C13H15N5OS2 — CID 80656471

IUPAC4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESCc1csc(Cc2noc(CCCc3csc(N)n3)n2)n1
InChIInChI=1S/C13H15N5OS2/c1-8-6-20-12(15-8)5-10-17-11(19-18-10)4-2-3-9-7-21-13(14)16-9/h6-7H,2-5H2,1H3,(H2,14,16)
InChIKeyGTHZXPJTSQVYGM-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.64
Rot. Bonds6

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

4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 80656471) has the molecular formula C13H15N5OS2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
PubChem CID80656471
Molecular FormulaC13H15N5OS2
Molecular Weight321.43 g/mol
Exact Mass321.07
IUPAC Name4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESCc1csc(Cc2noc(CCCc3csc(N)n3)n2)n1
InChIInChI=1S/C13H15N5OS2/c1-8-6-20-12(15-8)5-10-17-11(19-18-10)4-2-3-9-7-21-13(14)16-9/h6-7H,2-5H2,1H3,(H2,14,16)
InChIKeyGTHZXPJTSQVYGM-UHFFFAOYSA-N
XLogP2.64
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655651
1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351963
5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790693
4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80656293
4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655552
4-[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 104788856
4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 116632721
[1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458318
N,3,3-trimethyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352279
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
CID 63869406
4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
CID 80656600
4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655602

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (CID 80656471) is 4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is Cc1csc(Cc2noc(CCCc3csc(N)n3)n2)n1.
What is the InChIKey of 4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is GTHZXPJTSQVYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS2/c1-8-6-20-12(15-8)5-10-17-11(19-18-10)4-2-3-9-7-21-13(14)16-9/h6-7H,2-5H2,1H3,(H2,14,16).
What are the key properties of 4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 321.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 80656471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).