3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide

C10H17N3OS2 — CID 103423765

IUPAC3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(NCC(C)C)sc(C(N)=O)c1N
InChIInChI=1S/C10H17N3OS2/c1-5(2)4-13-10-8(15-3)6(11)7(16-10)9(12)14/h5,13H,4,11H2,1-3H3,(H2,12,14)
InChIKeyNJHOOSPKLMUVSB-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.22
Rot. Bonds5

About 3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide

3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103423765) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103423765
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(NCC(C)C)sc(C(N)=O)c1N
InChIInChI=1S/C10H17N3OS2/c1-5(2)4-13-10-8(15-3)6(11)7(16-10)9(12)14/h5,13H,4,11H2,1-3H3,(H2,12,14)
InChIKeyNJHOOSPKLMUVSB-UHFFFAOYSA-N
XLogP2.22
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103505688
3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103425578
3-amino-5-[2-(dimethylamino)ethylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103424297
3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423807
3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103427551
3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103425470
methyl 3-amino-5-(4-methylpentylamino)-4-methylsulfanylthiophene-2-carboxylate
CID 103507038
3-amino-5-[(5-bromo-2-fluorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103507750
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103505794
1-[3-amino-4-methylsulfanyl-5-(pentylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425378
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103505802
1-[3-amino-4-methylsulfanyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103526322

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide (CID 103423765) is 3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide is CSc1c(NCC(C)C)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is NJHOOSPKLMUVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-5(2)4-13-10-8(15-3)6(11)7(16-10)9(12)14/h5,13H,4,11H2,1-3H3,(H2,12,14).
What are the key properties of 3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 259.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103423765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).