N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide

C12H14N4O2S — CID 65206205

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1cc(N)ccc1O
InChIInChI=1S/C12H14N4O2S/c1-2-9-11(19-16-15-9)12(18)14-6-7-5-8(13)3-4-10(7)17/h3-5,17H,2,6,13H2,1H3,(H,14,18)
InChIKeyCIZQPVDBMHPQKN-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.32
Rot. Bonds4

About N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide

N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 65206205) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID65206205
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1cc(N)ccc1O
InChIInChI=1S/C12H14N4O2S/c1-2-9-11(19-16-15-9)12(18)14-6-7-5-8(13)3-4-10(7)17/h3-5,17H,2,6,13H2,1H3,(H,14,18)
InChIKeyCIZQPVDBMHPQKN-UHFFFAOYSA-N
XLogP1.32
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide (CID 65206205) is N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1cc(N)ccc1O.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is CIZQPVDBMHPQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-2-9-11(19-16-15-9)12(18)14-6-7-5-8(13)3-4-10(7)17/h3-5,17H,2,6,13H2,1H3,(H,14,18).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 65206205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).