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

C14H13N5O2S — CID 52919360

IUPACN-[4-methyl-5-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2nc(-c3cncc(C)c3)no2)s1
InChIInChI=1S/C14H13N5O2S/c1-7-4-10(6-15-5-7)12-18-13(21-19-12)11-8(2)16-14(22-11)17-9(3)20/h4-6H,1-3H3,(H,16,17,20)
InChIKeyXARKMAKQLIIVCI-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.83
Rot. Bonds3

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

N-[4-methyl-5-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 52919360) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[4-methyl-5-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID52919360
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-[4-methyl-5-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2nc(-c3cncc(C)c3)no2)s1
InChIInChI=1S/C14H13N5O2S/c1-7-4-10(6-15-5-7)12-18-13(21-19-12)11-8(2)16-14(22-11)17-9(3)20/h4-6H,1-3H3,(H,16,17,20)
InChIKeyXARKMAKQLIIVCI-UHFFFAOYSA-N
XLogP2.83
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 46265245
4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 39042536
5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 39041608
N-[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 50754591
4-bromo-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39040541
3,4,5-trimethoxy-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39041216
N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39042983
1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea
CID 52919494
N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 39040887
4,4-dimethyl-3-[[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]carbamoyloxy]pentanoic acid
CID 88867697
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 39350111
N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 11580284

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide (CID 52919360) is N-[4-methyl-5-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2nc(-c3cncc(C)c3)no2)s1.
What is the InChIKey of N-[4-methyl-5-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XARKMAKQLIIVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-7-4-10(6-15-5-7)12-18-13(21-19-12)11-8(2)16-14(22-11)17-9(3)20/h4-6H,1-3H3,(H,16,17,20).
What are the key properties of N-[4-methyl-5-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 315.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 52919360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).