3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide

C13H19N5OS — CID 103506198

IUPAC3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCc2cn(C)nc2C)cc1N
InChIInChI=1S/C13H19N5OS/c1-4-15-13(19)12-10(14)5-11(20-12)16-6-9-7-18(3)17-8(9)2/h5,7,16H,4,6,14H2,1-3H3,(H,15,19)
InChIKeyLLOBPVBHIWARCX-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.73
Rot. Bonds5

About 3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide

3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide (PubChem CID 103506198) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide
PubChem CID103506198
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCc2cn(C)nc2C)cc1N
InChIInChI=1S/C13H19N5OS/c1-4-15-13(19)12-10(14)5-11(20-12)16-6-9-7-18(3)17-8(9)2/h5,7,16H,4,6,14H2,1-3H3,(H,15,19)
InChIKeyLLOBPVBHIWARCX-UHFFFAOYSA-N
XLogP1.73
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112669431
3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432235
3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide
CID 115989165
3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide
CID 103508810
3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507791
2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
methyl 3-amino-4-cyano-5-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103506199
2-amino-5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112670930
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide
CID 107075896
3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide
CID 103526426
ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103507819
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 112672179

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide (CID 103506198) is 3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide is CCNC(=O)c1sc(NCc2cn(C)nc2C)cc1N.
What is the InChIKey of 3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide?
The InChIKey is LLOBPVBHIWARCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-4-15-13(19)12-10(14)5-11(20-12)16-6-9-7-18(3)17-8(9)2/h5,7,16H,4,6,14H2,1-3H3,(H,15,19).
What are the key properties of 3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide?
3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 103506198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).