2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide

C10H19N5OS — CID 104603871

IUPAC2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
SMILESCCNC(C)(CCSc1ncnn1C)C(N)=O
InChIInChI=1S/C10H19N5OS/c1-4-13-10(2,8(11)16)5-6-17-9-12-7-14-15(9)3/h7,13H,4-6H2,1-3H3,(H2,11,16)
InChIKeySFXLNMVTHUFVIO-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.15
Rot. Bonds7

About 2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide

2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide (PubChem CID 104603871) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
PubChem CID104603871
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
SMILESCCNC(C)(CCSc1ncnn1C)C(N)=O
InChIInChI=1S/C10H19N5OS/c1-4-13-10(2,8(11)16)5-6-17-9-12-7-14-15(9)3/h7,13H,4-6H2,1-3H3,(H2,11,16)
InChIKeySFXLNMVTHUFVIO-UHFFFAOYSA-N
XLogP0.15
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-2-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]hexanamide
CID 104603842
methyl 2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)butanoate
CID 104603907
2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide
CID 104603232
2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide
CID 63697844
2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide
CID 107786633
2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
CID 62848602
methyl 2-amino-2-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]hexanoate
CID 104603903
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanimidamide
CID 104603220
2-methyl-2-(methylamino)-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 104604816
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide
CID 102925687
2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanoic acid
CID 104603895
2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide
CID 62883171

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide (CID 104603871) is 2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide is CCNC(C)(CCSc1ncnn1C)C(N)=O.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide?
The InChIKey is SFXLNMVTHUFVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-4-13-10(2,8(11)16)5-6-17-9-12-7-14-15(9)3/h7,13H,4-6H2,1-3H3,(H2,11,16).
What are the key properties of 2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide?
2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide has a molecular weight of 257.36 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide is sourced from PubChem (CID 104603871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).