N-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide

C15H14N8OS — CID 46983800

IUPACN-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide
SMILESCCn1ncc(NC(=O)Cn2cc(-c3ncnc4ccsc34)cn2)n1
InChIInChI=1S/C15H14N8OS/c1-2-23-19-6-12(21-23)20-13(24)8-22-7-10(5-18-22)14-15-11(3-4-25-15)16-9-17-14/h3-7,9H,2,8H2,1H3,(H,20,21,24)
InChIKeyWXBJOQJIXFMFOJ-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.80
Rot. Bonds5

About N-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide

N-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide (PubChem CID 46983800) has the molecular formula C15H14N8OS and a molecular weight of 354.40 g/mol. Its IUPAC name is N-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide
PubChem CID46983800
Molecular FormulaC15H14N8OS
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC NameN-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide
SMILESCCn1ncc(NC(=O)Cn2cc(-c3ncnc4ccsc34)cn2)n1
InChIInChI=1S/C15H14N8OS/c1-2-23-19-6-12(21-23)20-13(24)8-22-7-10(5-18-22)14-15-11(3-4-25-15)16-9-17-14/h3-7,9H,2,8H2,1H3,(H,20,21,24)
InChIKeyWXBJOQJIXFMFOJ-UHFFFAOYSA-N
XLogP1.80
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[1-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1H-1,2,3-triazol-4-yl]-1-[3-(trifluoromethyl)phenyl]urea
CID 25138102
N-[3-[6-(2-thienyl)imidazo [1,2-b]pyridazin-3-yl]phenyl] acetamide
CID 126673008
US9096589, 8-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67257821
1-[4-[4-[[8-Methyl-9-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 68059996
1,8-Dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-3-thiophen-2-yl-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 10096132
2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide
CID 127036561
1-(3-Tert-butyl-1-methylpyrazol-5-yl)-3-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]urea
CID 164615184
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 164620237
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide
CID 118537092
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-2-carboxamide
CID 118537114
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 118537133
2-bromo-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-4-carboxamide
CID 118537169

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide (CID 46983800) is N-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide is CCn1ncc(NC(=O)Cn2cc(-c3ncnc4ccsc34)cn2)n1.
What is the InChIKey of N-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide?
The InChIKey is WXBJOQJIXFMFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8OS/c1-2-23-19-6-12(21-23)20-13(24)8-22-7-10(5-18-22)14-15-11(3-4-25-15)16-9-17-14/h3-7,9H,2,8H2,1H3,(H,20,21,24).
What are the key properties of N-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide?
N-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide has a molecular weight of 354.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltriazol-4-yl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 46983800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).