3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide

C14H22N4O2S — CID 103422477

IUPAC3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
SMILESCCN(CC1CC1)c1sc(C(=O)N(C)C)c(N)c1C(N)=O
InChIInChI=1S/C14H22N4O2S/c1-4-18(7-8-5-6-8)14-9(12(16)19)10(15)11(21-14)13(20)17(2)3/h8H,4-7,15H2,1-3H3,(H2,16,19)
InChIKeyBMEOJIJOKDEXKF-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.37
Rot. Bonds6

About 3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide

3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide (PubChem CID 103422477) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
PubChem CID103422477
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
SMILESCCN(CC1CC1)c1sc(C(=O)N(C)C)c(N)c1C(N)=O
InChIInChI=1S/C14H22N4O2S/c1-4-18(7-8-5-6-8)14-9(12(16)19)10(15)11(21-14)13(20)17(2)3/h8H,4-7,15H2,1-3H3,(H2,16,19)
InChIKeyBMEOJIJOKDEXKF-UHFFFAOYSA-N
XLogP1.37
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[cyclopropylmethyl(ethyl)amino]-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103422426
3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
CID 103420533
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate
CID 103422466
3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422409
3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
CID 103381988
3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 107403343
3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
CID 103417765
[3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103422444
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(methyl)amino]thiophene-3-carboxylate
CID 103509521
4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103421487
3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422442
1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422418

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide (CID 103422477) is 3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide is CCN(CC1CC1)c1sc(C(=O)N(C)C)c(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide?
The InChIKey is BMEOJIJOKDEXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-4-18(7-8-5-6-8)14-9(12(16)19)10(15)11(21-14)13(20)17(2)3/h8H,4-7,15H2,1-3H3,(H2,16,19).
What are the key properties of 3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide?
3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 103422477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).