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

C14H18N4OS — CID 81277355

IUPACN'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
SMILESCc1nc(CN(C)c2ccc(/C(N)=N/O)c(C)c2)cs1
InChIInChI=1S/C14H18N4OS/c1-9-6-12(4-5-13(9)14(15)17-19)18(3)7-11-8-20-10(2)16-11/h4-6,8,19H,7H2,1-3H3,(H2,15,17)
InChIKeyDDRXZDHTNFWQDJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.49
Rot. Bonds4

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

N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide (PubChem CID 81277355) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
PubChem CID81277355
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
SMILESCc1nc(CN(C)c2ccc(/C(N)=N/O)c(C)c2)cs1
InChIInChI=1S/C14H18N4OS/c1-9-6-12(4-5-13(9)14(15)17-19)18(3)7-11-8-20-10(2)16-11/h4-6,8,19H,7H2,1-3H3,(H2,15,17)
InChIKeyDDRXZDHTNFWQDJ-UHFFFAOYSA-N
XLogP2.49
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.49
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

N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
CID 81273309
2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
CID 62948030
2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzonitrile
CID 81282821
3,5-difluoro-N'-hydroxy-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
CID 81286419
1-[2-bromo-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]phenyl]ethanone
CID 114068655
4-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81274312
N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930177
2-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-amine
CID 103721834
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzoic acid
CID 102822761
1-[5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-nitrophenyl]ethanone
CID 104613603
N'-hydroxy-2-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930167
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 77005170

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide (CID 81277355) is N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide is Cc1nc(CN(C)c2ccc(/C(N)=N/O)c(C)c2)cs1.
What is the InChIKey of N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide?
The InChIKey is DDRXZDHTNFWQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-6-12(4-5-13(9)14(15)17-19)18(3)7-11-8-20-10(2)16-11/h4-6,8,19H,7H2,1-3H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide?
N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide has a molecular weight of 290.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide is sourced from PubChem (CID 81277355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).