3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide

C10H16N2O2S2 — CID 103526749

IUPAC3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide
SMILESCNC(=O)c1sc(SC)c(OC(C)C)c1N
InChIInChI=1S/C10H16N2O2S2/c1-5(2)14-7-6(11)8(9(13)12-3)16-10(7)15-4/h5H,11H2,1-4H3,(H,12,13)
InChIKeyQLEVQUFSGYHCOQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.20
Rot. Bonds4

About 3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide

3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide (PubChem CID 103526749) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide
PubChem CID103526749
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide
SMILESCNC(=O)c1sc(SC)c(OC(C)C)c1N
InChIInChI=1S/C10H16N2O2S2/c1-5(2)14-7-6(11)8(9(13)12-3)16-10(7)15-4/h5H,11H2,1-4H3,(H,12,13)
InChIKeyQLEVQUFSGYHCOQ-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419914
3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103505782
3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103525562
3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103417474
3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103417496
3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-propan-2-yloxythiophene-2-carboxamide
CID 103419553
3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide
CID 103526720
3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103423672
3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419241
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423712
3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103425282
3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423850

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide (CID 103526749) is 3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide is CNC(=O)c1sc(SC)c(OC(C)C)c1N.
What is the InChIKey of 3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide?
The InChIKey is QLEVQUFSGYHCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-5(2)14-7-6(11)8(9(13)12-3)16-10(7)15-4/h5H,11H2,1-4H3,(H,12,13).
What are the key properties of 3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide?
3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide is sourced from PubChem (CID 103526749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).