3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide

C14H24N4OS2 — CID 103419384

IUPAC3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(N2CCN(C)CC2)c(SC)c1N
InChIInChI=1S/C14H24N4OS2/c1-4-5-16-13(19)11-10(15)12(20-3)14(21-11)18-8-6-17(2)7-9-18/h4-9,15H2,1-3H3,(H,16,19)
InChIKeyVRQOIJAEHFIOCT-UHFFFAOYSA-N
MW328.51 g/mol
LogP1.94
Rot. Bonds5

About 3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide

3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide (PubChem CID 103419384) has the molecular formula C14H24N4OS2 and a molecular weight of 328.51 g/mol. Its IUPAC name is 3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
PubChem CID103419384
Molecular FormulaC14H24N4OS2
Molecular Weight328.51 g/mol
Exact Mass328.14
IUPAC Name3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(N2CCN(C)CC2)c(SC)c1N
InChIInChI=1S/C14H24N4OS2/c1-4-5-16-13(19)11-10(15)12(20-3)14(21-11)18-8-6-17(2)7-9-18/h4-9,15H2,1-3H3,(H,16,19)
InChIKeyVRQOIJAEHFIOCT-UHFFFAOYSA-N
XLogP1.94
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103506771
1-[3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanylthiophen-2-yl]ethanone
CID 103419298
3-amino-N-ethyl-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103418732
3-amino-N-ethyl-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103417310
3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide
CID 103418251
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
CID 103419637
3-amino-5-(hexylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103420142
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103505794
3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103506559
3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103418839
3-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103418336
3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide
CID 103524953

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide (CID 103419384) is 3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(N2CCN(C)CC2)c(SC)c1N.
What is the InChIKey of 3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide?
The InChIKey is VRQOIJAEHFIOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS2/c1-4-5-16-13(19)11-10(15)12(20-3)14(21-11)18-8-6-17(2)7-9-18/h4-9,15H2,1-3H3,(H,16,19).
What are the key properties of 3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide?
3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide has a molecular weight of 328.51 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103419384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).