3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide

C10H15N3O2S — CID 103424225

IUPAC3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide
SMILESCNc1sc(C(=O)NC2CC2)c(N)c1OC
InChIInChI=1S/C10H15N3O2S/c1-12-10-7(15-2)6(11)8(16-10)9(14)13-5-3-4-5/h5,12H,3-4,11H2,1-2H3,(H,13,14)
InChIKeyASQLAUBFGCGKNH-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.27
Rot. Bonds4

About 3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide

3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide (PubChem CID 103424225) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide
PubChem CID103424225
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide
SMILESCNc1sc(C(=O)NC2CC2)c(N)c1OC
InChIInChI=1S/C10H15N3O2S/c1-12-10-7(15-2)6(11)8(16-10)9(14)13-5-3-4-5/h5,12H,3-4,11H2,1-2H3,(H,13,14)
InChIKeyASQLAUBFGCGKNH-UHFFFAOYSA-N
XLogP1.27
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424181
3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425826
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611
3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103423672
3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide
CID 103525009
3-amino-N-cyclopropyl-5-[ethyl(propyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421058
3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427394
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
CID 103423115
3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103424004
3-amino-N-cyclopropyl-4-methoxy-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
CID 103507469
3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103423046
3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide
CID 103424749

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide (CID 103424225) is 3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide is CNc1sc(C(=O)NC2CC2)c(N)c1OC.
What is the InChIKey of 3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide?
The InChIKey is ASQLAUBFGCGKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-12-10-7(15-2)6(11)8(16-10)9(14)13-5-3-4-5/h5,12H,3-4,11H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide?
3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103424225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).