3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide

C13H22N4OS2 — CID 103507264

IUPAC3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide
SMILESCSc1c(N2CC(C)N(C)C(C)C2)sc(C(N)=O)c1N
InChIInChI=1S/C13H22N4OS2/c1-7-5-17(6-8(2)16(7)3)13-11(19-4)9(14)10(20-13)12(15)18/h7-8H,5-6,14H2,1-4H3,(H2,15,18)
InChIKeyUSBRVEUHIXORLQ-UHFFFAOYSA-N
MW314.48 g/mol
LogP1.68
Rot. Bonds3

About 3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide

3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide (PubChem CID 103507264) has the molecular formula C13H22N4OS2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide
PubChem CID103507264
Molecular FormulaC13H22N4OS2
Molecular Weight314.48 g/mol
Exact Mass314.12
IUPAC Name3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide
SMILESCSc1c(N2CC(C)N(C)C(C)C2)sc(C(N)=O)c1N
InChIInChI=1S/C13H22N4OS2/c1-7-5-17(6-8(2)16(7)3)13-11(19-4)9(14)10(20-13)12(15)18/h7-8H,5-6,14H2,1-4H3,(H2,15,18)
InChIKeyUSBRVEUHIXORLQ-UHFFFAOYSA-N
XLogP1.68
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxylate
CID 103507274
[3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103506755
3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103542403
methyl 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 103506728
3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103506683
3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103509494
3-amino-4-methylsulfanyl-5-(4-propan-2-ylazepan-1-yl)thiophene-2-carboxamide
CID 103422615
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methylsulfanylthiophene-2-carboxamide
CID 103505433
1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103418501
3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103506771
3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103509324
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103505876

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide (CID 103507264) is 3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide is CSc1c(N2CC(C)N(C)C(C)C2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide?
The InChIKey is USBRVEUHIXORLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS2/c1-7-5-17(6-8(2)16(7)3)13-11(19-4)9(14)10(20-13)12(15)18/h7-8H,5-6,14H2,1-4H3,(H2,15,18).
What are the key properties of 3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide?
3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide has a molecular weight of 314.48 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103507264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).