2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

C15H22N6O3S — CID 91828743

IUPAC2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)c1noc(CN(C)CC(=O)Nc2nnc(C3CCCO3)s2)n1
InChIInChI=1S/C15H22N6O3S/c1-9(2)13-17-12(24-20-13)8-21(3)7-11(22)16-15-19-18-14(25-15)10-5-4-6-23-10/h9-10H,4-8H2,1-3H3,(H,16,19,22)
InChIKeyPUHMWXLZMKEHSG-UHFFFAOYSA-N
MW366.45 g/mol
LogP1.97
Rot. Bonds7

About 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 91828743) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID91828743
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)c1noc(CN(C)CC(=O)Nc2nnc(C3CCCO3)s2)n1
InChIInChI=1S/C15H22N6O3S/c1-9(2)13-17-12(24-20-13)8-21(3)7-11(22)16-15-19-18-14(25-15)10-5-4-6-23-10/h9-10H,4-8H2,1-3H3,(H,16,19,22)
InChIKeyPUHMWXLZMKEHSG-UHFFFAOYSA-N
XLogP1.97
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 91828743) is 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is CC(C)c1noc(CN(C)CC(=O)Nc2nnc(C3CCCO3)s2)n1.
What is the InChIKey of 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is PUHMWXLZMKEHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-9(2)13-17-12(24-20-13)8-21(3)7-11(22)16-15-19-18-14(25-15)10-5-4-6-23-10/h9-10H,4-8H2,1-3H3,(H,16,19,22).
What are the key properties of 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 366.45 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 91828743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).