N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide

C14H19N5OS — CID 77064299

IUPACN'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide
SMILESCC(C)c1nsc(N(CCC(N)=NO)c2ccccc2)n1
InChIInChI=1S/C14H19N5OS/c1-10(2)13-16-14(21-18-13)19(9-8-12(15)17-20)11-6-4-3-5-7-11/h3-7,10,20H,8-9H2,1-2H3,(H2,15,17)
InChIKeyOQOOBKNMNBVQAW-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.94
Rot. Bonds6

About N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide

N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide (PubChem CID 77064299) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide
PubChem CID77064299
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide
SMILESCC(C)c1nsc(N(CCC(N)=NO)c2ccccc2)n1
InChIInChI=1S/C14H19N5OS/c1-10(2)13-16-14(21-18-13)19(9-8-12(15)17-20)11-6-4-3-5-7-11/h3-7,10,20H,8-9H2,1-2H3,(H2,15,17)
InChIKeyOQOOBKNMNBVQAW-UHFFFAOYSA-N
XLogP2.94
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-[N-(1,3,4-thiadiazol-2-yl)anilino]propanimidamide
CID 77021390
N'-hydroxy-3-(N-(3-methylpyrazin-2-yl)anilino)propanimidamide
CID 83064180
N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide
CID 76944452
N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide
CID 55166554
N'-hydroxy-3-(N-(5-iodopyrimidin-2-yl)anilino)propanimidamide
CID 116648342
N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide
CID 61224912
N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide
CID 114570749
N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide
CID 76981236
3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide
CID 43101626
N'-hydroxy-3-[N-(2-methylpropylsulfonyl)anilino]propanimidamide
CID 77045007
N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide
CID 106725316
N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
CID 54998197

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide (CID 77064299) is N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide is CC(C)c1nsc(N(CCC(N)=NO)c2ccccc2)n1.
What is the InChIKey of N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide?
The InChIKey is OQOOBKNMNBVQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10(2)13-16-14(21-18-13)19(9-8-12(15)17-20)11-6-4-3-5-7-11/h3-7,10,20H,8-9H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide?
N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide has a molecular weight of 305.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide is sourced from PubChem (CID 77064299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).