2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide

C13H12N4O2S2 — CID 90607675

IUPAC2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1noc(-c2sccc2NC(=O)c2sc(C)nc2C)n1
InChIInChI=1S/C13H12N4O2S2/c1-6-10(21-8(3)14-6)12(18)16-9-4-5-20-11(9)13-15-7(2)17-19-13/h4-5H,1-3H3,(H,16,18)
InChIKeyJVNDPEHGNDJDBU-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.43
Rot. Bonds3

About 2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 90607675) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID90607675
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1noc(-c2sccc2NC(=O)c2sc(C)nc2C)n1
InChIInChI=1S/C13H12N4O2S2/c1-6-10(21-8(3)14-6)12(18)16-9-4-5-20-11(9)13-15-7(2)17-19-13/h4-5H,1-3H3,(H,16,18)
InChIKeyJVNDPEHGNDJDBU-UHFFFAOYSA-N
XLogP3.43
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(furan-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,2-oxazole-3-carboxamide
CID 90607549
3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607600
3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607611
1-(4-chlorophenyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607712
2-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pyridine-3-carboxamide
CID 90607576
5-chloro-2-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607625
1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607709
1-benzhydryl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607744
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 90607660
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea
CID 90607747
N-[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]phenyl]acetamide
CID 90607762
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-5-iodobenzoic acid
CID 45345743

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide (CID 90607675) is 2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide is Cc1noc(-c2sccc2NC(=O)c2sc(C)nc2C)n1.
What is the InChIKey of 2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is JVNDPEHGNDJDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-6-10(21-8(3)14-6)12(18)16-9-4-5-20-11(9)13-15-7(2)17-19-13/h4-5H,1-3H3,(H,16,18).
What are the key properties of 2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90607675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).