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

C10H15N5O3S2 — CID 106412743

IUPAC5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NCCc1ncno1
InChIInChI=1S/C10H15N5O3S2/c1-2-5-20(16,17)8-9(11)15-19-10(8)12-4-3-7-13-6-14-18-7/h6,12H,2-5H2,1H3,(H2,11,15)
InChIKeyJZMDBBUYPIFONV-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.95
Rot. Bonds7

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

5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 106412743) has the molecular formula C10H15N5O3S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID106412743
Molecular FormulaC10H15N5O3S2
Molecular Weight317.40 g/mol
Exact Mass317.06
IUPAC Name5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NCCc1ncno1
InChIInChI=1S/C10H15N5O3S2/c1-2-5-20(16,17)8-9(11)15-19-10(8)12-4-3-7-13-6-14-18-7/h6,12H,2-5H2,1H3,(H2,11,15)
InChIKeyJZMDBBUYPIFONV-UHFFFAOYSA-N
XLogP0.95
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 106044505
5-N-[2-(1H-imidazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359875
N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide
CID 103364028
4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine
CID 103359563
5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103363694
3-amino-4-ethylsulfonyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]thiophene-2-carbonitrile
CID 106412985
5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361208
5-N-[(4-bromothiophen-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359632
5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361069
4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106412113
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106412755
5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360387

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine (CID 106412743) is 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine is CCCS(=O)(=O)c1c(N)nsc1NCCc1ncno1.
What is the InChIKey of 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is JZMDBBUYPIFONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S2/c1-2-5-20(16,17)8-9(11)15-19-10(8)12-4-3-7-13-6-14-18-7/h6,12H,2-5H2,1H3,(H2,11,15).
What are the key properties of 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 317.40 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106412743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).