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

C14H19N5OS — CID 104684120

IUPAC5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide
SMILESCC(CCCN)C(=O)Nc1ccc(Sc2ncn[nH]2)cc1
InChIInChI=1S/C14H19N5OS/c1-10(3-2-8-15)13(20)18-11-4-6-12(7-5-11)21-14-16-9-17-19-14/h4-7,9-10H,2-3,8,15H2,1H3,(H,18,20)(H,16,17,19)
InChIKeySXTJPEWMBXUWNS-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.27
Rot. Bonds7

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

5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide (PubChem CID 104684120) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide
PubChem CID104684120
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide
SMILESCC(CCCN)C(=O)Nc1ccc(Sc2ncn[nH]2)cc1
InChIInChI=1S/C14H19N5OS/c1-10(3-2-8-15)13(20)18-11-4-6-12(7-5-11)21-14-16-9-17-19-14/h4-7,9-10H,2-3,8,15H2,1H3,(H,18,20)(H,16,17,19)
InChIKeySXTJPEWMBXUWNS-UHFFFAOYSA-N
XLogP2.27
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 104683445
2-amino-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide
CID 43712450
2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
CID 115588518
(2R)-2-amino-3,3-dimethyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide
CID 103928924
N-heptan-2-yl-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline
CID 43729172
3-bromo-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
CID 113385200
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
CID 62831973
2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide
CID 79843560
5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide
CID 104684256
3-chloro-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propane-1-sulfonamide
CID 79557372
N-(1,1-difluoropropan-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline
CID 102868809

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide?
The IUPAC name of 5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide (CID 104684120) is 5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide is CC(CCCN)C(=O)Nc1ccc(Sc2ncn[nH]2)cc1.
What is the InChIKey of 5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide?
The InChIKey is SXTJPEWMBXUWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10(3-2-8-15)13(20)18-11-4-6-12(7-5-11)21-14-16-9-17-19-14/h4-7,9-10H,2-3,8,15H2,1H3,(H,18,20)(H,16,17,19).
What are the key properties of 5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide?
5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide has a molecular weight of 305.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide is sourced from PubChem (CID 104684120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).