5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide

C17H24N4O2S — CID 142795805

IUPAC5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCCN(c1sc(-c2cnn(C)c2)c(C(N)=O)c1C)C1CCOCC1
InChIInChI=1S/C17H24N4O2S/c1-4-21(13-5-7-23-8-6-13)17-11(2)14(16(18)22)15(24-17)12-9-19-20(3)10-12/h9-10,13H,4-8H2,1-3H3,(H2,18,22)
InChIKeyGXYZEEKCQZCWMY-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.56
Rot. Bonds5

About 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide

5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide (PubChem CID 142795805) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
PubChem CID142795805
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCCN(c1sc(-c2cnn(C)c2)c(C(N)=O)c1C)C1CCOCC1
InChIInChI=1S/C17H24N4O2S/c1-4-21(13-5-7-23-8-6-13)17-11(2)14(16(18)22)15(24-17)12-9-19-20(3)10-12/h9-10,13H,4-8H2,1-3H3,(H2,18,22)
InChIKeyGXYZEEKCQZCWMY-UHFFFAOYSA-N
XLogP2.56
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride
CID 142795826
2-[methyl(oxan-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide
CID 141496131
1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one
CID 129273860
5-(1-methylpyrazol-4-yl)-1-(oxan-4-yl)triazole-4-carboxylic acid
CID 103115225
4-[ethyl(oxan-4-yl)amino]-3-methylthiophene-2-carboxylic acid
CID 141422273
2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
CID 142795822
ethyl (3S)-3-(1-methylpyrazol-4-yl)-3-(oxan-4-yl)propanoate
CID 129409435
5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1-methylimidazol-4-yl)methyl]benzamide
CID 86288041
3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 164523081
5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid
CID 134340437
3-[[[5-[ethyl(oxan-4-yl)amino]-7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134516959
ethyl 5-bromo-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoate
CID 90273001

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide (CID 142795805) is 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide is CCN(c1sc(-c2cnn(C)c2)c(C(N)=O)c1C)C1CCOCC1.
What is the InChIKey of 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The InChIKey is GXYZEEKCQZCWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-4-21(13-5-7-23-8-6-13)17-11(2)14(16(18)22)15(24-17)12-9-19-20(3)10-12/h9-10,13H,4-8H2,1-3H3,(H2,18,22).
What are the key properties of 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 142795805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).