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

C14H17ClN4OS — CID 102667263

IUPAC3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide
SMILESCc1csc(C(C)NCc2ccc(/C(N)=N/O)cc2Cl)n1
InChIInChI=1S/C14H17ClN4OS/c1-8-7-21-14(18-8)9(2)17-6-11-4-3-10(5-12(11)15)13(16)19-20/h3-5,7,9,17,20H,6H2,1-2H3,(H2,16,19)
InChIKeyOKCIOSQOGWECJT-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.05
Rot. Bonds5

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

3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide (PubChem CID 102667263) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide
PubChem CID102667263
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide
SMILESCc1csc(C(C)NCc2ccc(/C(N)=N/O)cc2Cl)n1
InChIInChI=1S/C14H17ClN4OS/c1-8-7-21-14(18-8)9(2)17-6-11-4-3-10(5-12(11)15)13(16)19-20/h3-5,7,9,17,20H,6H2,1-2H3,(H2,16,19)
InChIKeyOKCIOSQOGWECJT-UHFFFAOYSA-N
XLogP3.05
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.05
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

3-chloro-N'-hydroxy-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzenecarboximidamide
CID 102667374
3-chloro-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzonitrile
CID 102664604
3-chloro-N'-hydroxy-4-[[1-(1,3-thiazol-2-yl)propylamino]methyl]benzenecarboximidamide
CID 102667261
3-chloro-4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102667216
2-[[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-N-propan-2-ylpropanamide
CID 102667428
N-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096277
3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667113
3-chloro-N'-hydroxy-4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide
CID 106400084
3-chloro-N'-hydroxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzenecarboximidamide
CID 102667250
3-chloro-N'-hydroxy-4-[[(3-hydroxy-2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 102667278
N'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide
CID 114482834
3-chloro-N'-hydroxy-4-[(4-propan-2-yloxybutylamino)methyl]benzenecarboximidamide
CID 106011956

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide (CID 102667263) is 3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide is Cc1csc(C(C)NCc2ccc(/C(N)=N/O)cc2Cl)n1.
What is the InChIKey of 3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide?
The InChIKey is OKCIOSQOGWECJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-8-7-21-14(18-8)9(2)17-6-11-4-3-10(5-12(11)15)13(16)19-20/h3-5,7,9,17,20H,6H2,1-2H3,(H2,16,19).
What are the key properties of 3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide?
3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide has a molecular weight of 324.84 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 102667263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).