3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide

C11H21N5S — CID 65272301

IUPAC3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nc(CCC)ns1)C(C)C
InChIInChI=1S/C11H21N5S/c1-4-5-10-14-11(17-15-10)16(8(2)3)7-6-9(12)13/h8H,4-7H2,1-3H3,(H3,12,13)
InChIKeyIAKDDSOVMXVHMP-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.03
Rot. Bonds7

About 3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide

3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide (PubChem CID 65272301) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide
PubChem CID65272301
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nc(CCC)ns1)C(C)C
InChIInChI=1S/C11H21N5S/c1-4-5-10-14-11(17-15-10)16(8(2)3)7-6-9(12)13/h8H,4-7H2,1-3H3,(H3,12,13)
InChIKeyIAKDDSOVMXVHMP-UHFFFAOYSA-N
XLogP2.03
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[2,1-benzothiazol-3-yl(propan-2-yl)amino]propanimidamide
CID 66355709
3-(diethylamino)propanimidamide;dihydrochloride
CID 42614718
3-(diethylamino)propanimidamide;hydrochloride
CID 82021474
3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65273071
3-(dimethylamino)propanimidamide;dihydrochloride
CID 47002520
3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide
CID 65169370
N'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide
CID 77064340
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide
CID 65272472
2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol
CID 66280128
3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide
CID 62733411
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide
CID 65271838
methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65275369

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide?
The IUPAC name of 3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide (CID 65272301) is 3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide.
What is the SMILES notation for 3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide?
The canonical SMILES for 3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide is [H]/N=C(\N)CCN(c1nc(CCC)ns1)C(C)C.
What is the InChIKey of 3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide?
The InChIKey is IAKDDSOVMXVHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-4-5-10-14-11(17-15-10)16(8(2)3)7-6-9(12)13/h8H,4-7H2,1-3H3,(H3,12,13).
What are the key properties of 3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide?
3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide has a molecular weight of 255.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide is sourced from PubChem (CID 65272301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).