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

C13H12N4O2S2 — CID 70754339

IUPACN,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(C)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C13H12N4O2S2/c1-8-11(16-19-15-8)13(18)17(2)6-9-7-21-12(14-9)10-4-3-5-20-10/h3-5,7H,6H2,1-2H3
InChIKeyUSYNXAOLHJNEKS-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.84
Rot. Bonds4

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

N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 70754339) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID70754339
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC NameN,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(C)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C13H12N4O2S2/c1-8-11(16-19-15-8)13(18)17(2)6-9-7-21-12(14-9)10-4-3-5-20-10/h3-5,7H,6H2,1-2H3
InChIKeyUSYNXAOLHJNEKS-UHFFFAOYSA-N
XLogP2.84
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

N,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide
CID 70730335
N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 70728476
2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 56917368
2-methoxy-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70744145
N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 70782274
N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 56910011
N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 70750792
N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 70774862
N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
CID 110691862
(2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 96575284
N-methyl-3-(1-methylpyrrol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70709279
N-ethyl-2-[ethyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 51223958

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 70754339) is N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N(C)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is USYNXAOLHJNEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-8-11(16-19-15-8)13(18)17(2)6-9-7-21-12(14-9)10-4-3-5-20-10/h3-5,7H,6H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 70754339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).