N-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

C17H22N4O2S — CID 50975819

IUPACN-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1cc(C)n(C2CN(C(=O)C(C)(C)NC(=O)c3cccs3)C2)n1
InChIInChI=1S/C17H22N4O2S/c1-11-8-12(2)21(19-11)13-9-20(10-13)16(23)17(3,4)18-15(22)14-6-5-7-24-14/h5-8,13H,9-10H2,1-4H3,(H,18,22)
InChIKeyVULIHDWKYQDSMN-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.15
Rot. Bonds4

About N-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 50975819) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID50975819
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1cc(C)n(C2CN(C(=O)C(C)(C)NC(=O)c3cccs3)C2)n1
InChIInChI=1S/C17H22N4O2S/c1-11-8-12(2)21(19-11)13-9-20(10-13)16(23)17(3,4)18-15(22)14-6-5-7-24-14/h5-8,13H,9-10H2,1-4H3,(H,18,22)
InChIKeyVULIHDWKYQDSMN-UHFFFAOYSA-N
XLogP2.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 135096627
N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 164688986
N-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 70766606
3,5-dimethyl-1-[1-(2-thiophen-2-ylethyl)azetidin-3-yl]pyrazole
CID 56781747
N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 50954287
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CID 14552694
N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide
CID 14552701
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone
CID 154816969
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-carboxamide
CID 50947543
N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 50975819) is N-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is Cc1cc(C)n(C2CN(C(=O)C(C)(C)NC(=O)c3cccs3)C2)n1.
What is the InChIKey of N-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is VULIHDWKYQDSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-8-12(2)21(19-11)13-9-20(10-13)16(23)17(3,4)18-15(22)14-6-5-7-24-14/h5-8,13H,9-10H2,1-4H3,(H,18,22).
What are the key properties of N-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 50975819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).