3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide

C7H10N2O2S2 — CID 103526720

IUPAC3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide
SMILESCOc1c(SC)sc(C(N)=O)c1N
InChIInChI=1S/C7H10N2O2S2/c1-11-4-3(8)5(6(9)10)13-7(4)12-2/h8H2,1-2H3,(H2,9,10)
InChIKeyHZTOKRKQFARNPI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.16
Rot. Bonds3

About 3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide

3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide (PubChem CID 103526720) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide
PubChem CID103526720
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide
SMILESCOc1c(SC)sc(C(N)=O)c1N
InChIInChI=1S/C7H10N2O2S2/c1-11-4-3(8)5(6(9)10)13-7(4)12-2/h8H2,1-2H3,(H2,9,10)
InChIKeyHZTOKRKQFARNPI-UHFFFAOYSA-N
XLogP1.16
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide
CID 103526743
methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
CID 103417502
ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
CID 103417399
5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide
CID 103526621
3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide
CID 103424749
3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103526749
(3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone
CID 103417487
3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427445
3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103418763
3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide
CID 103507599
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421492

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide (CID 103526720) is 3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide is COc1c(SC)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide?
The InChIKey is HZTOKRKQFARNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-11-4-3(8)5(6(9)10)13-7(4)12-2/h8H2,1-2H3,(H2,9,10).
What are the key properties of 3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide?
3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103526720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).