2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol

C15H16N4OS2 — CID 142883760

IUPAC2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol
SMILESCc1ccc(CNc2nsnc2Nc2cccc(C)c2O)s1
InChIInChI=1S/C15H16N4OS2/c1-9-4-3-5-12(13(9)20)17-15-14(18-22-19-15)16-8-11-7-6-10(2)21-11/h3-7,20H,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPCWZLSHNRKRVDB-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.28
Rot. Bonds5

About 2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol

2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol (PubChem CID 142883760) has the molecular formula C15H16N4OS2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol.

Molecular Properties

Compound Name2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol
PubChem CID142883760
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC Name2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol
SMILESCc1ccc(CNc2nsnc2Nc2cccc(C)c2O)s1
InChIInChI=1S/C15H16N4OS2/c1-9-4-3-5-12(13(9)20)17-15-14(18-22-19-15)16-8-11-7-6-10(2)21-11/h3-7,20H,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPCWZLSHNRKRVDB-UHFFFAOYSA-N
XLogP4.28
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol?
The IUPAC name of 2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol (CID 142883760) is 2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol.
What is the SMILES notation for 2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol?
The canonical SMILES for 2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol is Cc1ccc(CNc2nsnc2Nc2cccc(C)c2O)s1.
What is the InChIKey of 2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol?
The InChIKey is PCWZLSHNRKRVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS2/c1-9-4-3-5-12(13(9)20)17-15-14(18-22-19-15)16-8-11-7-6-10(2)21-11/h3-7,20H,8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol?
2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol has a molecular weight of 332.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol is sourced from PubChem (CID 142883760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).