N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide

C17H19N5OS — CID 71998010

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide
SMILESCCc1ccc(CNC(=O)CNc2ccc(-n3cncn3)cc2)s1
InChIInChI=1S/C17H19N5OS/c1-2-15-7-8-16(24-15)9-20-17(23)10-19-13-3-5-14(6-4-13)22-12-18-11-21-22/h3-8,11-12,19H,2,9-10H2,1H3,(H,20,23)
InChIKeyWLQQXCKLLRXCCV-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.62
Rot. Bonds7

About N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide

N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide (PubChem CID 71998010) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide
PubChem CID71998010
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide
SMILESCCc1ccc(CNC(=O)CNc2ccc(-n3cncn3)cc2)s1
InChIInChI=1S/C17H19N5OS/c1-2-15-7-8-16(24-15)9-20-17(23)10-19-13-3-5-14(6-4-13)22-12-18-11-21-22/h3-8,11-12,19H,2,9-10H2,1H3,(H,20,23)
InChIKeyWLQQXCKLLRXCCV-UHFFFAOYSA-N
XLogP2.62
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride
CID 119727871
N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 62345471
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide
CID 98871567
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 47156538
2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079
2,2-dimethyl-3-[4-(1,2,4-triazol-1-yl)anilino]propan-1-ol
CID 81411336
N-(3-methylbutyl)-4-(1,2,4-triazol-1-yl)aniline
CID 54862631
3-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295872
(2S)-2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79024180
4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 37122275
2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 167764922

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide (CID 71998010) is N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide is CCc1ccc(CNC(=O)CNc2ccc(-n3cncn3)cc2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide?
The InChIKey is WLQQXCKLLRXCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-2-15-7-8-16(24-15)9-20-17(23)10-19-13-3-5-14(6-4-13)22-12-18-11-21-22/h3-8,11-12,19H,2,9-10H2,1H3,(H,20,23).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide?
N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide has a molecular weight of 341.44 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide is sourced from PubChem (CID 71998010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).