N'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide

C10H18N4OS — CID 77045213

IUPACN'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide
SMILESCc1csc(C(C)NC(C)CC(N)=NO)n1
InChIInChI=1S/C10H18N4OS/c1-6(4-9(11)14-15)12-8(3)10-13-7(2)5-16-10/h5-6,8,12,15H,4H2,1-3H3,(H2,11,14)
InChIKeyBELZOXGQCMTHNF-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.63
Rot. Bonds5

About N'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide

N'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide (PubChem CID 77045213) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide
PubChem CID77045213
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide
SMILESCc1csc(C(C)NC(C)CC(N)=NO)n1
InChIInChI=1S/C10H18N4OS/c1-6(4-9(11)14-15)12-8(3)10-13-7(2)5-16-10/h5-6,8,12,15H,4H2,1-3H3,(H2,11,14)
InChIKeyBELZOXGQCMTHNF-UHFFFAOYSA-N
XLogP1.63
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide (CID 77045213) is N'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide is Cc1csc(C(C)NC(C)CC(N)=NO)n1.
What is the InChIKey of N'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide?
The InChIKey is BELZOXGQCMTHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-6(4-9(11)14-15)12-8(3)10-13-7(2)5-16-10/h5-6,8,12,15H,4H2,1-3H3,(H2,11,14).
What are the key properties of N'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide?
N'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide has a molecular weight of 242.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide is sourced from PubChem (CID 77045213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).