N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide

C13H18N4O2S — CID 46987892

IUPACN-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc(CN(CCN(C)C)C(=O)c2cnon2)s1
InChIInChI=1S/C13H18N4O2S/c1-10-4-5-11(20-10)9-17(7-6-16(2)3)13(18)12-8-14-19-15-12/h4-5,8H,6-7,9H2,1-3H3
InChIKeyCHIYOVRJGPPCNY-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.64
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 46987892) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID46987892
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc(CN(CCN(C)C)C(=O)c2cnon2)s1
InChIInChI=1S/C13H18N4O2S/c1-10-4-5-11(20-10)9-17(7-6-16(2)3)13(18)12-8-14-19-15-12/h4-5,8H,6-7,9H2,1-3H3
InChIKeyCHIYOVRJGPPCNY-UHFFFAOYSA-N
XLogP1.64
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide
CID 50982102
N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 74240783
N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide
CID 50976253
5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide
CID 72889827
N-ethyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 139526737
N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 74251315
2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 166403146
N,N-dimethyl-2-(5-methylthiophen-2-yl)acetamide
CID 127015462
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3668488
N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
CID 135105751
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide
CID 50973177
N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 77095379

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 46987892) is N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide is Cc1ccc(CN(CCN(C)C)C(=O)c2cnon2)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is CHIYOVRJGPPCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10-4-5-11(20-10)9-17(7-6-16(2)3)13(18)12-8-14-19-15-12/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 46987892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).