N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide

C14H16N4O2S — CID 135903791

IUPACN-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cc(C2=NN/C(=N/C3CC3)SC2)ccc1O
InChIInChI=1S/C14H16N4O2S/c1-8(19)15-11-6-9(2-5-13(11)20)12-7-21-14(18-17-12)16-10-3-4-10/h2,5-6,10,20H,3-4,7H2,1H3,(H,15,19)(H,16,18)
InChIKeyKPUCJMKFPYBUQM-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.91
Rot. Bonds3

About N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide

N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide (PubChem CID 135903791) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide
PubChem CID135903791
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cc(C2=NN/C(=N/C3CC3)SC2)ccc1O
InChIInChI=1S/C14H16N4O2S/c1-8(19)15-11-6-9(2-5-13(11)20)12-7-21-14(18-17-12)16-10-3-4-10/h2,5-6,10,20H,3-4,7H2,1H3,(H,15,19)(H,16,18)
InChIKeyKPUCJMKFPYBUQM-UHFFFAOYSA-N
XLogP1.91
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide 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-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide?
The IUPAC name of N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide (CID 135903791) is N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide?
The canonical SMILES for N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide is CC(=O)Nc1cc(C2=NN/C(=N/C3CC3)SC2)ccc1O.
What is the InChIKey of N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide?
The InChIKey is KPUCJMKFPYBUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8(19)15-11-6-9(2-5-13(11)20)12-7-21-14(18-17-12)16-10-3-4-10/h2,5-6,10,20H,3-4,7H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide?
N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide has a molecular weight of 304.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide is sourced from PubChem (CID 135903791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).