2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol

C15H21N3O2S — CID 106260758

IUPAC2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol
SMILESCOc1cc(C(C)Nc2nnc(CC(C)C)s2)ccc1O
InChIInChI=1S/C15H21N3O2S/c1-9(2)7-14-17-18-15(21-14)16-10(3)11-5-6-12(19)13(8-11)20-4/h5-6,8-10,19H,7H2,1-4H3,(H,16,18)
InChIKeyAGDYITMELYYWKX-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.62
Rot. Bonds6

About 2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol

2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol (PubChem CID 106260758) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol
PubChem CID106260758
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol
SMILESCOc1cc(C(C)Nc2nnc(CC(C)C)s2)ccc1O
InChIInChI=1S/C15H21N3O2S/c1-9(2)7-14-17-18-15(21-14)16-10(3)11-5-6-12(19)13(8-11)20-4/h5-6,8-10,19H,7H2,1-4H3,(H,16,18)
InChIKeyAGDYITMELYYWKX-UHFFFAOYSA-N
XLogP3.62
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol
CID 106261095
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260425
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982753
2-methoxy-5-[[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]methyl]phenol
CID 103926051
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol
CID 54895413
4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
CID 43194672
N-[1-(3-methoxyphenyl)ethyl]-5-[4-[5-[1-(3-methoxyphenyl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 74767869
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol (CID 106260758) is 2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol is COc1cc(C(C)Nc2nnc(CC(C)C)s2)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol?
The InChIKey is AGDYITMELYYWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-9(2)7-14-17-18-15(21-14)16-10(3)11-5-6-12(19)13(8-11)20-4/h5-6,8-10,19H,7H2,1-4H3,(H,16,18).
What are the key properties of 2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol?
2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol has a molecular weight of 307.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 106260758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).