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

C14H12N4O2S — CID 90602753

IUPAC2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1nc(-c2nnc(NC(=O)c3ccccc3C)o2)cs1
InChIInChI=1S/C14H12N4O2S/c1-8-5-3-4-6-10(8)12(19)16-14-18-17-13(20-14)11-7-21-9(2)15-11/h3-7H,1-2H3,(H,16,18,19)
InChIKeyKOSFRUKUHBEDTP-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.06
Rot. Bonds3

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

2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 90602753) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID90602753
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1nc(-c2nnc(NC(=O)c3ccccc3C)o2)cs1
InChIInChI=1S/C14H12N4O2S/c1-8-5-3-4-6-10(8)12(19)16-14-18-17-13(20-14)11-7-21-9(2)15-11/h3-7H,1-2H3,(H,16,18,19)
InChIKeyKOSFRUKUHBEDTP-UHFFFAOYSA-N
XLogP3.06
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602901
3-methoxy-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90602900
3,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602756
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide
CID 90602681
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 90602823
2-ethoxy-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 90602796
1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea
CID 90602974
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 5154529
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide
CID 90602788
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 90602930
1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 90602858
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 43978010

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 90602753) is 2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1nc(-c2nnc(NC(=O)c3ccccc3C)o2)cs1.
What is the InChIKey of 2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is KOSFRUKUHBEDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-8-5-3-4-6-10(8)12(19)16-14-18-17-13(20-14)11-7-21-9(2)15-11/h3-7H,1-2H3,(H,16,18,19).
What are the key properties of 2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 300.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 90602753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).