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

C11H13N3OS — CID 115680838

IUPAC4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol
SMILESCCc1nsc(NCc2ccc(O)cc2)n1
InChIInChI=1S/C11H13N3OS/c1-2-10-13-11(16-14-10)12-7-8-3-5-9(15)6-4-8/h3-6,15H,2,7H2,1H3,(H,12,13,14)
InChIKeyNARPCRPQGHKUPD-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.42
Rot. Bonds4

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

4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol (PubChem CID 115680838) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol
PubChem CID115680838
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol
SMILESCCc1nsc(NCc2ccc(O)cc2)n1
InChIInChI=1S/C11H13N3OS/c1-2-10-13-11(16-14-10)12-7-8-3-5-9(15)6-4-8/h3-6,15H,2,7H2,1H3,(H,12,13,14)
InChIKeyNARPCRPQGHKUPD-UHFFFAOYSA-N
XLogP2.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65275975
N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 126836079
3-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-methylbenzamide
CID 133335514
3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133352107
4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol
CID 115691416
N-[[2-(aminomethyl)phenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65275887
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277041
N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide
CID 133370141
N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65270936
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile
CID 131134565
N-[3-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133335548

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol (CID 115680838) is 4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol is CCc1nsc(NCc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol?
The InChIKey is NARPCRPQGHKUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-10-13-11(16-14-10)12-7-8-3-5-9(15)6-4-8/h3-6,15H,2,7H2,1H3,(H,12,13,14).
What are the key properties of 4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol?
4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol has a molecular weight of 235.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol is sourced from PubChem (CID 115680838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).