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

C15H17N5OS — CID 75423305

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
SMILESCc1csc(C(C)(C)NCc2nc(-c3ccccn3)no2)n1
InChIInChI=1S/C15H17N5OS/c1-10-9-22-14(18-10)15(2,3)17-8-12-19-13(20-21-12)11-6-4-5-7-16-11/h4-7,9,17H,8H2,1-3H3
InChIKeyCBIRUGGCHXUHIZ-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.92
Rot. Bonds5

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

2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine (PubChem CID 75423305) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
PubChem CID75423305
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
SMILESCc1csc(C(C)(C)NCc2nc(-c3ccccn3)no2)n1
InChIInChI=1S/C15H17N5OS/c1-10-9-22-14(18-10)15(2,3)17-8-12-19-13(20-21-12)11-6-4-5-7-16-11/h4-7,9,17H,8H2,1-3H3
InChIKeyCBIRUGGCHXUHIZ-UHFFFAOYSA-N
XLogP2.92
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine (CID 75423305) is 2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine is Cc1csc(C(C)(C)NCc2nc(-c3ccccn3)no2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The InChIKey is CBIRUGGCHXUHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-10-9-22-14(18-10)15(2,3)17-8-12-19-13(20-21-12)11-6-4-5-7-16-11/h4-7,9,17H,8H2,1-3H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine has a molecular weight of 315.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 75423305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).