4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide

C13H16N2OS2 — CID 61106846

IUPAC4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C13H16N2OS2/c1-8-4-5-17-12(8)7-15(3)13(16)11-6-10(14)9(2)18-11/h4-6H,7,14H2,1-3H3
InChIKeyFRXWWTYLGXFICG-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.28
Rot. Bonds3

About 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide

4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 61106846) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
PubChem CID61106846
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C13H16N2OS2/c1-8-4-5-17-12(8)7-15(3)13(16)11-6-10(14)9(2)18-11/h4-6H,7,14H2,1-3H3
InChIKeyFRXWWTYLGXFICG-UHFFFAOYSA-N
XLogP3.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094456
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62787544
5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625427
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 78798582
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62082818
4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61101958
2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427
3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 113460696
2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 81396491
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide (CID 61106846) is 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide is Cc1ccsc1CN(C)C(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is FRXWWTYLGXFICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-8-4-5-17-12(8)7-15(3)13(16)11-6-10(14)9(2)18-11/h4-6H,7,14H2,1-3H3.
What are the key properties of 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide?
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 61106846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).