N'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide

C12H13ClN4OS — CID 126807672

IUPACN'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
SMILESCc1csc(CC(N)=NOCc2ccc(Cl)cn2)n1
InChIInChI=1S/C12H13ClN4OS/c1-8-7-19-12(16-8)4-11(14)17-18-6-10-3-2-9(13)5-15-10/h2-3,5,7H,4,6H2,1H3,(H2,14,17)
InChIKeyDMHMEKJFLZMWHL-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.53
Rot. Bonds5

About N'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide

N'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide (PubChem CID 126807672) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is N'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
PubChem CID126807672
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC NameN'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
SMILESCc1csc(CC(N)=NOCc2ccc(Cl)cn2)n1
InChIInChI=1S/C12H13ClN4OS/c1-8-7-19-12(16-8)4-11(14)17-18-6-10-3-2-9(13)5-15-10/h2-3,5,7H,4,6H2,1H3,(H2,14,17)
InChIKeyDMHMEKJFLZMWHL-UHFFFAOYSA-N
XLogP2.53
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.53
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine
CID 44462798
[2-(5-Chloro-2-pyridinyl)-5-methyl-1,3-thiazol-4-yl]methanol
CID 117822243
[2-(6-Chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 122476802
[2-(5-Chloro-2-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 122477217
O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;ethane
CID 144042814
[5-(4-Amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyazanium
CID 148289403
4-Bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole
CID 155190588
2-[(5-Chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole
CID 175864904
O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride
CID 46224015
5-[2-[(3,6-Dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 55127836
N'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
CID 75450465
5-[2-[(6-Chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 79240432

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
The IUPAC name of N'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide (CID 126807672) is N'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide.
What is the SMILES notation for N'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
The canonical SMILES for N'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide is Cc1csc(CC(N)=NOCc2ccc(Cl)cn2)n1.
What is the InChIKey of N'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
The InChIKey is DMHMEKJFLZMWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-8-7-19-12(16-8)4-11(14)17-18-6-10-3-2-9(13)5-15-10/h2-3,5,7H,4,6H2,1H3,(H2,14,17).
What are the key properties of N'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
N'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide has a molecular weight of 296.78 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-2-pyridinyl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide is sourced from PubChem (CID 126807672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).