3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide

C11H15N5O3S2 — CID 103507837

IUPAC3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
SMILESCn1cc(CNc2sc(C(N)=O)c(N)c2S(C)(=O)=O)cn1
InChIInChI=1S/C11H15N5O3S2/c1-16-5-6(4-15-16)3-14-11-9(21(2,18)19)7(12)8(20-11)10(13)17/h4-5,14H,3,12H2,1-2H3,(H2,13,17)
InChIKeyMHPNQNDVFGKVJR-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.18
Rot. Bonds5

About 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide

3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 103507837) has the molecular formula C11H15N5O3S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
PubChem CID103507837
Molecular FormulaC11H15N5O3S2
Molecular Weight329.41 g/mol
Exact Mass329.06
IUPAC Name3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
SMILESCn1cc(CNc2sc(C(N)=O)c(N)c2S(C)(=O)=O)cn1
InChIInChI=1S/C11H15N5O3S2/c1-16-5-6(4-15-16)3-14-11-9(21(2,18)19)7(12)8(20-11)10(13)17/h4-5,14H,3,12H2,1-2H3,(H2,13,17)
InChIKeyMHPNQNDVFGKVJR-UHFFFAOYSA-N
XLogP0.18
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507784
3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide
CID 103507826
methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103507781
3-amino-4-ethylsulfonyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile
CID 103507833
3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
CID 103506464
3-amino-5-(hexylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103420091
3-amino-5-[(4-methylpiperazin-1-yl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103505871
3-amino-5-[(3-methylcyclopentyl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 107416234
5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383199
3-amino-4-[(1-methylpyrazol-4-yl)methylsulfamoyl]benzamide
CID 81466386
3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507791
1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide
CID 122166473

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide (CID 103507837) is 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide is Cn1cc(CNc2sc(C(N)=O)c(N)c2S(C)(=O)=O)cn1.
What is the InChIKey of 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is MHPNQNDVFGKVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S2/c1-16-5-6(4-15-16)3-14-11-9(21(2,18)19)7(12)8(20-11)10(13)17/h4-5,14H,3,12H2,1-2H3,(H2,13,17).
What are the key properties of 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide?
3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103507837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).