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

C14H14N4O2S2 — CID 39336923

IUPAC2-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]propanamide
SMILESCc1nc(NC(=O)C(C)C)sc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C14H14N4O2S2/c1-7(2)12(19)17-14-15-8(3)10(22-14)13-16-11(18-20-13)9-5-4-6-21-9/h4-7H,1-3H3,(H,15,17,19)
InChIKeyUGZLZJVTPRSDCL-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.82
Rot. Bonds4

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

2-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 39336923) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID39336923
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name2-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]propanamide
SMILESCc1nc(NC(=O)C(C)C)sc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C14H14N4O2S2/c1-7(2)12(19)17-14-15-8(3)10(22-14)13-16-11(18-20-13)9-5-4-6-21-9/h4-7H,1-3H3,(H,15,17,19)
InChIKeyUGZLZJVTPRSDCL-UHFFFAOYSA-N
XLogP3.82
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]propanamide (CID 39336923) is 2-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]propanamide is Cc1nc(NC(=O)C(C)C)sc1-c1nc(-c2cccs2)no1.
What is the InChIKey of 2-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is UGZLZJVTPRSDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-7(2)12(19)17-14-15-8(3)10(22-14)13-16-11(18-20-13)9-5-4-6-21-9/h4-7H,1-3H3,(H,15,17,19).
What are the key properties of 2-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 334.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 39336923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).