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

C14H14N4OS — CID 107919541

IUPACN'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide
SMILESCc1nc(Cn2ccc3c(/C(N)=N/O)cccc32)cs1
InChIInChI=1S/C14H14N4OS/c1-9-16-10(8-20-9)7-18-6-5-11-12(14(15)17-19)3-2-4-13(11)18/h2-6,8,19H,7H2,1H3,(H2,15,17)
InChIKeyZKBHCEAKWXWCKH-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.55
Rot. Bonds3

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

N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide (PubChem CID 107919541) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide
PubChem CID107919541
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide
SMILESCc1nc(Cn2ccc3c(/C(N)=N/O)cccc32)cs1
InChIInChI=1S/C14H14N4OS/c1-9-16-10(8-20-9)7-18-6-5-11-12(14(15)17-19)3-2-4-13(11)18/h2-6,8,19H,7H2,1H3,(H2,15,17)
InChIKeyZKBHCEAKWXWCKH-UHFFFAOYSA-N
XLogP2.55
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.55
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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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxyindole-4-carboximidamide
CID 107919516
1-(2,2-difluoroethyl)-N'-hydroxyindole-4-carboximidamide
CID 107919513
1-hexyl-N'-hydroxyindole-4-carboximidamide
CID 107919489
N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide
CID 107919584
1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide
CID 114015889
4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 141136037
4-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,5-dione
CID 67661749
1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbothioamide
CID 107919313
N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
CID 81277355
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine
CID 102917572
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine
CID 66404653
2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
CID 82793448

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide (CID 107919541) is N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide is Cc1nc(Cn2ccc3c(/C(N)=N/O)cccc32)cs1.
What is the InChIKey of N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide?
The InChIKey is ZKBHCEAKWXWCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-16-10(8-20-9)7-18-6-5-11-12(14(15)17-19)3-2-4-13(11)18/h2-6,8,19H,7H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide?
N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide has a molecular weight of 286.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide is sourced from PubChem (CID 107919541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).