3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide

C12H14BrN3OS2 — CID 106045453

IUPAC3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCCc2ccc(Br)s2)cc1N
InChIInChI=1S/C12H14BrN3OS2/c1-15-12(17)11-8(14)6-10(19-11)16-5-4-7-2-3-9(13)18-7/h2-3,6,16H,4-5,14H2,1H3,(H,15,17)
InChIKeyJKFVTJAVZFGDGI-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.17
Rot. Bonds5

About 3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide

3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide (PubChem CID 106045453) has the molecular formula C12H14BrN3OS2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide
PubChem CID106045453
Molecular FormulaC12H14BrN3OS2
Molecular Weight360.30 g/mol
Exact Mass358.98
IUPAC Name3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCCc2ccc(Br)s2)cc1N
InChIInChI=1S/C12H14BrN3OS2/c1-15-12(17)11-8(14)6-10(19-11)16-5-4-7-2-3-9(13)18-7/h2-3,6,16H,4-5,14H2,1H3,(H,15,17)
InChIKeyJKFVTJAVZFGDGI-UHFFFAOYSA-N
XLogP3.17
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505964
3-amino-4-[2-(5-bromothiophen-2-yl)ethylamino]benzoic acid
CID 114139657
6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 103718403
1-[2-amino-4-[2-(5-bromothiophen-2-yl)ethylamino]phenyl]ethanone
CID 106037639
2-amino-4-[2-(5-bromothiophen-2-yl)ethylamino]benzoic acid
CID 106039782
3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide
CID 103509920
3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432151
2-bromo-1-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzene-1,4-diamine
CID 106037606
4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine
CID 114139836
2,4-diamino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 106033536
3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424129
3-amino-4-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106037282

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide (CID 106045453) is 3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide is CNC(=O)c1sc(NCCc2ccc(Br)s2)cc1N.
What is the InChIKey of 3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide?
The InChIKey is JKFVTJAVZFGDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS2/c1-15-12(17)11-8(14)6-10(19-11)16-5-4-7-2-3-9(13)18-7/h2-3,6,16H,4-5,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide?
3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide has a molecular weight of 360.30 g/mol, XLogP of 3.17, 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-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 106045453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).