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

C10H16N4O2S — CID 79681759

IUPACN'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide
SMILESCc1nc(CN2CCOC(C(N)=NO)C2)cs1
InChIInChI=1S/C10H16N4O2S/c1-7-12-8(6-17-7)4-14-2-3-16-9(5-14)10(11)13-15/h6,9,15H,2-5H2,1H3,(H2,11,13)
InChIKeyOBHFVOMZRCDCRP-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.40
Rot. Bonds3

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

N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide (PubChem CID 79681759) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide
PubChem CID79681759
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide
SMILESCc1nc(CN2CCOC(C(N)=NO)C2)cs1
InChIInChI=1S/C10H16N4O2S/c1-7-12-8(6-17-7)4-14-2-3-16-9(5-14)10(11)13-15/h6,9,15H,2-5H2,1H3,(H2,11,13)
InChIKeyOBHFVOMZRCDCRP-UHFFFAOYSA-N
XLogP0.40
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.40
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide (CID 79681759) is N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide is Cc1nc(CN2CCOC(C(N)=NO)C2)cs1.
What is the InChIKey of N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide?
The InChIKey is OBHFVOMZRCDCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-7-12-8(6-17-7)4-14-2-3-16-9(5-14)10(11)13-15/h6,9,15H,2-5H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide?
N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide has a molecular weight of 256.33 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide is sourced from PubChem (CID 79681759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).