3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide

C12H19N3OS2 — CID 103507338

IUPAC3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide
SMILESC=C(C)CNc1sc(C(=O)NCC)c(N)c1SC
InChIInChI=1S/C12H19N3OS2/c1-5-14-11(16)9-8(13)10(17-4)12(18-9)15-6-7(2)3/h15H,2,5-6,13H2,1,3-4H3,(H,14,16)
InChIKeyVHLVFCKHMFTCCE-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.79
Rot. Bonds6

About 3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide

3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103507338) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103507338
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC Name3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide
SMILESC=C(C)CNc1sc(C(=O)NCC)c(N)c1SC
InChIInChI=1S/C12H19N3OS2/c1-5-14-11(16)9-8(13)10(17-4)12(18-9)15-6-7(2)3/h15H,2,5-6,13H2,1,3-4H3,(H,14,16)
InChIKeyVHLVFCKHMFTCCE-UHFFFAOYSA-N
XLogP2.79
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425798
3-amino-5-(hexylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103420142
3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103508186
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103505794
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103505802
1-[3-amino-5-(3-methylbut-2-enylamino)-4-methylsulfanylthiophen-2-yl]ethanone
CID 106199132
3-amino-N-ethyl-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103418732
3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide
CID 103507417
3-amino-4-ethylsulfonyl-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
CID 103507351
1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423070
3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103423765
ethyl 5-acetyl-4-amino-2-(2-methylprop-2-enylamino)thiophene-3-carboxylate
CID 103507347

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide (CID 103507338) is 3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide is C=C(C)CNc1sc(C(=O)NCC)c(N)c1SC.
What is the InChIKey of 3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is VHLVFCKHMFTCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-5-14-11(16)9-8(13)10(17-4)12(18-9)15-6-7(2)3/h15H,2,5-6,13H2,1,3-4H3,(H,14,16).
What are the key properties of 3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide?
3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 285.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103507338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).