4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide

C11H12N4OS — CID 171488520

IUPAC4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Cc2cnc(N)s2)cc1
InChIInChI=1S/C11H12N4OS/c12-10(15-16)8-3-1-7(2-4-8)5-9-6-14-11(13)17-9/h1-4,6,16H,5H2,(H2,12,15)(H2,13,14)
InChIKeyKAPUKQPHAIDGFO-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.41
Rot. Bonds3

About 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide

4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 171488520) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID171488520
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Cc2cnc(N)s2)cc1
InChIInChI=1S/C11H12N4OS/c12-10(15-16)8-3-1-7(2-4-8)5-9-6-14-11(13)17-9/h1-4,6,16H,5H2,(H2,12,15)(H2,13,14)
InChIKeyKAPUKQPHAIDGFO-UHFFFAOYSA-N
XLogP1.41
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.41
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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Related Compounds

5-Benzyl-1,3-thiazol-2-amine
CID 691952
5-[(3-Nitrophenyl)methyl]-1,3-thiazol-2-amine
CID 691969
5-{[4-(Trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine
CID 16228111
5-Phenyl-thiazol-2-ylamine
CID 873119
5-benzyl-N-methyl-1,3-thiazol-2-amine
CID 1229694
5-((3-Methylphenyl)methyl)-1,3-thiazol-2-amine
CID 708605
5-[(4-Methylphenyl)methyl]-1,3-thiazol-2-amine
CID 732249
5-((2-Fluorophenyl)methyl)-1,3-thiazol-2-amine
CID 3387135
4-[(2-Amino-1,3-thiazol-5-yl)methyl]benzonitrile
CID 16769502
5-[(2-Methylphenyl)methyl]-1,3-thiazol-2-amine
CID 16770159
3-[(2-Amino-1,3-Thiazol-5-Yl)Methyl]Benzonitrile
CID 16778523
5-(4-Fluoro-benzyl)-thiazol-2-ylamine
CID 703479

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide (CID 171488520) is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(Cc2cnc(N)s2)cc1.
What is the InChIKey of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is KAPUKQPHAIDGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c12-10(15-16)8-3-1-7(2-4-8)5-9-6-14-11(13)17-9/h1-4,6,16H,5H2,(H2,12,15)(H2,13,14).
What are the key properties of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide?
4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 248.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 171488520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).