2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol

C11H14N4OS — CID 123661945

IUPAC2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESCc1nnc(NC(O)Cc2ccccc2N)s1
InChIInChI=1S/C11H14N4OS/c1-7-14-15-11(17-7)13-10(16)6-8-4-2-3-5-9(8)12/h2-5,10,16H,6,12H2,1H3,(H,13,15)
InChIKeyFMMPMDCVWZMKBN-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.40
Rot. Bonds4

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

2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol (PubChem CID 123661945) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
PubChem CID123661945
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESCc1nnc(NC(O)Cc2ccccc2N)s1
InChIInChI=1S/C11H14N4OS/c1-7-14-15-11(17-7)13-10(16)6-8-4-2-3-5-9(8)12/h2-5,10,16H,6,12H2,1H3,(H,13,15)
InChIKeyFMMPMDCVWZMKBN-UHFFFAOYSA-N
XLogP1.40
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 103110802
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol
CID 64982613
N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982537
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 65208717
N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208328
N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208770
4-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-phenylmethyl]phenol
CID 107648394
[2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl]methanol
CID 56702750
2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 65208045
2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 123928348
N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide
CID 9402959
N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine
CID 65208881

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The IUPAC name of 2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol (CID 123661945) is 2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The canonical SMILES for 2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol is Cc1nnc(NC(O)Cc2ccccc2N)s1.
What is the InChIKey of 2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The InChIKey is FMMPMDCVWZMKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7-14-15-11(17-7)13-10(16)6-8-4-2-3-5-9(8)12/h2-5,10,16H,6,12H2,1H3,(H,13,15).
What are the key properties of 2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol has a molecular weight of 250.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol is sourced from PubChem (CID 123661945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).