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

C14H20N4O2S — CID 56790073

IUPACN-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCCCc1nc(C)c(-c2nc(C(C)(C)NC(C)=O)no2)s1
InChIInChI=1S/C14H20N4O2S/c1-6-7-10-15-8(2)11(21-10)12-16-13(18-20-12)14(4,5)17-9(3)19/h6-7H2,1-5H3,(H,17,19)
InChIKeyPYZRSXDJAGMJQU-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.83
Rot. Bonds5

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

N-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 56790073) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID56790073
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCCCc1nc(C)c(-c2nc(C(C)(C)NC(C)=O)no2)s1
InChIInChI=1S/C14H20N4O2S/c1-6-7-10-15-8(2)11(21-10)12-16-13(18-20-12)14(4,5)17-9(3)19/h6-7H2,1-5H3,(H,17,19)
InChIKeyPYZRSXDJAGMJQU-UHFFFAOYSA-N
XLogP2.83
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 56790073) is N-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CCCc1nc(C)c(-c2nc(C(C)(C)NC(C)=O)no2)s1.
What is the InChIKey of N-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is PYZRSXDJAGMJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-6-7-10-15-8(2)11(21-10)12-16-13(18-20-12)14(4,5)17-9(3)19/h6-7H2,1-5H3,(H,17,19).
What are the key properties of N-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 308.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 56790073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).