2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide

C16H18N4OS2 — CID 92603142

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCc1cc(C)n(CC(=O)N[C@@H](Cc2cccs2)c2nccs2)n1
InChIInChI=1S/C16H18N4OS2/c1-11-8-12(2)20(19-11)10-15(21)18-14(16-17-5-7-23-16)9-13-4-3-6-22-13/h3-8,14H,9-10H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyMCFHLVMZRMPTJP-AWEZNQCLSA-N
MW346.48 g/mol
LogP3.12
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide (PubChem CID 92603142) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
PubChem CID92603142
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCc1cc(C)n(CC(=O)N[C@@H](Cc2cccs2)c2nccs2)n1
InChIInChI=1S/C16H18N4OS2/c1-11-8-12(2)20(19-11)10-15(21)18-14(16-17-5-7-23-16)9-13-4-3-6-22-13/h3-8,14H,9-10H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyMCFHLVMZRMPTJP-AWEZNQCLSA-N
XLogP3.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 92571237
2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 110221794
5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 92563065
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 7447508
N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
CID 110221724
(2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide
CID 92581973
2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 110221751
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
CID 4792264
N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110221787
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 95314518

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide (CID 92603142) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide is Cc1cc(C)n(CC(=O)N[C@@H](Cc2cccs2)c2nccs2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is MCFHLVMZRMPTJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-11-8-12(2)20(19-11)10-15(21)18-14(16-17-5-7-23-16)9-13-4-3-6-22-13/h3-8,14H,9-10H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 346.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 92603142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).