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

C15H18N4OS2 — CID 84588940

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
SMILESCc1nc(C(C)(C)NCc2noc(-c3ccsc3)n2)sc1C
InChIInChI=1S/C15H18N4OS2/c1-9-10(2)22-14(17-9)15(3,4)16-7-12-18-13(20-19-12)11-5-6-21-8-11/h5-6,8,16H,7H2,1-4H3
InChIKeyOTHBJGAJGVRPFF-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.90
Rot. Bonds5

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

2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine (PubChem CID 84588940) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
PubChem CID84588940
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
SMILESCc1nc(C(C)(C)NCc2noc(-c3ccsc3)n2)sc1C
InChIInChI=1S/C15H18N4OS2/c1-9-10(2)22-14(17-9)15(3,4)16-7-12-18-13(20-19-12)11-5-6-21-8-11/h5-6,8,16H,7H2,1-4H3
InChIKeyOTHBJGAJGVRPFF-UHFFFAOYSA-N
XLogP3.90
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine (CID 84588940) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine is Cc1nc(C(C)(C)NCc2noc(-c3ccsc3)n2)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine?
The InChIKey is OTHBJGAJGVRPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS2/c1-9-10(2)22-14(17-9)15(3,4)16-7-12-18-13(20-19-12)11-5-6-21-8-11/h5-6,8,16H,7H2,1-4H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine has a molecular weight of 334.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 84588940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).