2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide

C14H18N4OS — CID 146044216

IUPAC2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCCn1nc(CC(N)=O)nc1-c1scc2c1CCCC2
InChIInChI=1S/C14H18N4OS/c1-2-18-14(16-12(17-18)7-11(15)19)13-10-6-4-3-5-9(10)8-20-13/h8H,2-7H2,1H3,(H2,15,19)
InChIKeyOSPWGUADPOUNJY-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.93
Rot. Bonds4

About 2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide

2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 146044216) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID146044216
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCCn1nc(CC(N)=O)nc1-c1scc2c1CCCC2
InChIInChI=1S/C14H18N4OS/c1-2-18-14(16-12(17-18)7-11(15)19)13-10-6-4-3-5-9(10)8-20-13/h8H,2-7H2,1H3,(H2,15,19)
InChIKeyOSPWGUADPOUNJY-UHFFFAOYSA-N
XLogP1.93
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

2-[1-butyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide
CID 146038431
2-[1-[2-(1H-imidazol-5-yl)ethyl]-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146046346
1-(2-ethoxyethyl)-3-methyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazole
CID 146039768
2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[2-(methylamino)-1,3-thiazol-4-yl]-1,2,4-triazol-3-yl]acetamide
CID 72941006
2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide
CID 72851523
1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene
CID 141307299
2-[1-butyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
CID 72873850
2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide
CID 131893595
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 90647890
2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide
CID 72888240
2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide
CID 131951982

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide (CID 146044216) is 2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide is CCn1nc(CC(N)=O)nc1-c1scc2c1CCCC2.
What is the InChIKey of 2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is OSPWGUADPOUNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-18-14(16-12(17-18)7-11(15)19)13-10-6-4-3-5-9(10)8-20-13/h8H,2-7H2,1H3,(H2,15,19).
What are the key properties of 2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 290.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 146044216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).