2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide

C14H19N5OS — CID 62831973

IUPAC2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(Sc2ncn[nH]2)cc1
InChIInChI=1S/C14H19N5OS/c1-4-16-14(2,3)12(20)18-10-5-7-11(8-6-10)21-13-15-9-17-19-13/h5-9,16H,4H2,1-3H3,(H,18,20)(H,15,17,19)
InChIKeyLKPBNKJFJGQGLO-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.28
Rot. Bonds6

About 2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide

2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide (PubChem CID 62831973) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
PubChem CID62831973
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(Sc2ncn[nH]2)cc1
InChIInChI=1S/C14H19N5OS/c1-4-16-14(2,3)12(20)18-10-5-7-11(8-6-10)21-13-15-9-17-19-13/h5-9,16H,4H2,1-3H3,(H,18,20)(H,15,17,19)
InChIKeyLKPBNKJFJGQGLO-UHFFFAOYSA-N
XLogP2.28
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide (CID 62831973) is 2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide is CCNC(C)(C)C(=O)Nc1ccc(Sc2ncn[nH]2)cc1.
What is the InChIKey of 2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide?
The InChIKey is LKPBNKJFJGQGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-4-16-14(2,3)12(20)18-10-5-7-11(8-6-10)21-13-15-9-17-19-13/h5-9,16H,4H2,1-3H3,(H,18,20)(H,15,17,19).
What are the key properties of 2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide?
2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide has a molecular weight of 305.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 62831973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).