[3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol

C10H10ClN3OS — CID 106197129

IUPAC[3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNc2nsnc2Cl)c1
InChIInChI=1S/C10H10ClN3OS/c11-9-10(14-16-13-9)12-5-7-2-1-3-8(4-7)6-15/h1-4,15H,5-6H2,(H,12,14)
InChIKeyOYRDYZVSYVNANW-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.30
Rot. Bonds4

About [3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol

[3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol (PubChem CID 106197129) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is [3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol
PubChem CID106197129
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name[3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNc2nsnc2Cl)c1
InChIInChI=1S/C10H10ClN3OS/c11-9-10(14-16-13-9)12-5-7-2-1-3-8(4-7)6-15/h1-4,15H,5-6H2,(H,12,14)
InChIKeyOYRDYZVSYVNANW-UHFFFAOYSA-N
XLogP2.30
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 114156936
[3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197097
[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231936
[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114836485
[3-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231800
[3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197100
[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197115
N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide
CID 106193043
[3-[[(6-chloro-3-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 106197113
[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 65419281
[3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 113232104
[3-[(2-amino-3-chloroanilino)methyl]phenyl]methanol
CID 107231829

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol (CID 106197129) is [3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol is OCc1cccc(CNc2nsnc2Cl)c1.
What is the InChIKey of [3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol?
The InChIKey is OYRDYZVSYVNANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c11-9-10(14-16-13-9)12-5-7-2-1-3-8(4-7)6-15/h1-4,15H,5-6H2,(H,12,14).
What are the key properties of [3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol?
[3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol has a molecular weight of 255.73 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 106197129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).