N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide

C13H12N4OS — CID 107920769

IUPACN'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide
SMILESN/C(=N/O)c1ccc2c(ccn2Cc2nccs2)c1
InChIInChI=1S/C13H12N4OS/c14-13(16-18)10-1-2-11-9(7-10)3-5-17(11)8-12-15-4-6-19-12/h1-7,18H,8H2,(H2,14,16)
InChIKeyXLEVYUKYXZCFPS-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.24
Rot. Bonds3

About N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide

N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide (PubChem CID 107920769) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide
PubChem CID107920769
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide
SMILESN/C(=N/O)c1ccc2c(ccn2Cc2nccs2)c1
InChIInChI=1S/C13H12N4OS/c14-13(16-18)10-1-2-11-9(7-10)3-5-17(11)8-12-15-4-6-19-12/h1-7,18H,8H2,(H2,14,16)
InChIKeyXLEVYUKYXZCFPS-UHFFFAOYSA-N
XLogP2.24
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.24
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'}, {'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-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide?
The IUPAC name of N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide (CID 107920769) is N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide is N/C(=N/O)c1ccc2c(ccn2Cc2nccs2)c1.
What is the InChIKey of N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide?
The InChIKey is XLEVYUKYXZCFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c14-13(16-18)10-1-2-11-9(7-10)3-5-17(11)8-12-15-4-6-19-12/h1-7,18H,8H2,(H2,14,16).
What are the key properties of N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide?
N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide has a molecular weight of 272.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide is sourced from PubChem (CID 107920769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).