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

C14H18N4OS — CID 114482834

IUPACN'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide
SMILESCc1csc(CNCc2ccc(/C(N)=N/O)cc2C)n1
InChIInChI=1S/C14H18N4OS/c1-9-5-11(14(15)18-19)3-4-12(9)6-16-7-13-17-10(2)8-20-13/h3-5,8,16,19H,6-7H2,1-2H3,(H2,15,18)
InChIKeyHYGNKYMPQROWKU-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.14
Rot. Bonds5

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

N'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide (PubChem CID 114482834) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide
PubChem CID114482834
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide
SMILESCc1csc(CNCc2ccc(/C(N)=N/O)cc2C)n1
InChIInChI=1S/C14H18N4OS/c1-9-5-11(14(15)18-19)3-4-12(9)6-16-7-13-17-10(2)8-20-13/h3-5,8,16,19H,6-7H2,1-2H3,(H2,15,18)
InChIKeyHYGNKYMPQROWKU-UHFFFAOYSA-N
XLogP2.14
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.14
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

1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104853912
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482916
N'-hydroxy-3-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]benzenecarboximidamide
CID 114482818
N'-hydroxy-4-[(5-hydroxypentylamino)methyl]-3-methylbenzenecarboximidamide
CID 107317916
N'-hydroxy-4-[(6-hydroxyhexylamino)methyl]-3-methylbenzenecarboximidamide
CID 107853266
N'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide
CID 114482862
3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide
CID 102667263
N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide
CID 106136351
N'-hydroxy-4-[(1-hydroxypropan-2-ylamino)methyl]-3-methylbenzenecarboximidamide
CID 114482743
N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide
CID 114482726
4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482665
N'-hydroxy-3-methyl-4-[[2-(triazol-1-yl)ethylamino]methyl]benzenecarboximidamide
CID 114483081

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide (CID 114482834) is N'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide is Cc1csc(CNCc2ccc(/C(N)=N/O)cc2C)n1.
What is the InChIKey of N'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide?
The InChIKey is HYGNKYMPQROWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-5-11(14(15)18-19)3-4-12(9)6-16-7-13-17-10(2)8-20-13/h3-5,8,16,19H,6-7H2,1-2H3,(H2,15,18).
What are the key properties of N'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide?
N'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide has a molecular weight of 290.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 114482834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).