3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide

C13H14ClN3OS2 — CID 103425470

IUPAC3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(NCc2ccccc2Cl)sc(C(N)=O)c1N
InChIInChI=1S/C13H14ClN3OS2/c1-19-11-9(15)10(12(16)18)20-13(11)17-6-7-4-2-3-5-8(7)14/h2-5,17H,6,15H2,1H3,(H2,16,18)
InChIKeyADKVWAAVGADLSN-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.42
Rot. Bonds5

About 3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide

3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103425470) has the molecular formula C13H14ClN3OS2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103425470
Molecular FormulaC13H14ClN3OS2
Molecular Weight327.86 g/mol
Exact Mass327.03
IUPAC Name3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(NCc2ccccc2Cl)sc(C(N)=O)c1N
InChIInChI=1S/C13H14ClN3OS2/c1-19-11-9(15)10(12(16)18)20-13(11)17-6-7-4-2-3-5-8(7)14/h2-5,17H,6,15H2,1H3,(H2,16,18)
InChIKeyADKVWAAVGADLSN-UHFFFAOYSA-N
XLogP3.42
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103425578
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103505688
3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432089
1-[3-amino-5-[(3-bromophenyl)methylamino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103507864
methyl 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylsulfanylthiophene-2-carboxylate
CID 106044735
1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423070
2-[2-[(2-chlorophenyl)methylamino]phenyl]acetamide
CID 43738427
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103507965
5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624509
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 61358389

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide (CID 103425470) is 3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide is CSc1c(NCc2ccccc2Cl)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is ADKVWAAVGADLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS2/c1-19-11-9(15)10(12(16)18)20-13(11)17-6-7-4-2-3-5-8(7)14/h2-5,17H,6,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 327.86 g/mol, XLogP of 3.42, 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-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103425470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).