3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide

C14H26N4O2S — CID 103425144

IUPAC3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCC(C)(C)CN(C)C)c(OC)c1N
InChIInChI=1S/C14H26N4O2S/c1-14(2,8-18(4)5)7-17-13-10(20-6)9(15)11(21-13)12(19)16-3/h17H,7-8,15H2,1-6H3,(H,16,19)
InChIKeyDXXMETJRZWFARK-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.70
Rot. Bonds7

About 3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide

3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 103425144) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide
PubChem CID103425144
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCC(C)(C)CN(C)C)c(OC)c1N
InChIInChI=1S/C14H26N4O2S/c1-14(2,8-18(4)5)7-17-13-10(20-6)9(15)11(21-13)12(19)16-3/h17H,7-8,15H2,1-6H3,(H,16,19)
InChIKeyDXXMETJRZWFARK-UHFFFAOYSA-N
XLogP1.70
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide
CID 106424949
3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425826
methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate
CID 103423455
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate
CID 103506972
3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427394
ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
CID 106296512
3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103505782
3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432214
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide
CID 103432325
3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510135
1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone
CID 106045062

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide (CID 103425144) is 3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide is CNC(=O)c1sc(NCC(C)(C)CN(C)C)c(OC)c1N.
What is the InChIKey of 3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is DXXMETJRZWFARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-14(2,8-18(4)5)7-17-13-10(20-6)9(15)11(21-13)12(19)16-3/h17H,7-8,15H2,1-6H3,(H,16,19).
What are the key properties of 3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide?
3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 314.46 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 103425144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).