N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide

C8H13N3S — CID 63176642

IUPACN'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide
SMILESCC/C(N)=N\Cc1cnc(C)s1
InChIInChI=1S/C8H13N3S/c1-3-8(9)11-5-7-4-10-6(2)12-7/h4H,3,5H2,1-2H3,(H2,9,11)
InChIKeyFGEOLWJZOLHMDE-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.72
Rot. Bonds3

About N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide

N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide (PubChem CID 63176642) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide.

Molecular Properties

Compound NameN'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide
PubChem CID63176642
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide
SMILESCC/C(N)=N\Cc1cnc(C)s1
InChIInChI=1S/C8H13N3S/c1-3-8(9)11-5-7-4-10-6(2)12-7/h4H,3,5H2,1-2H3,(H2,9,11)
InChIKeyFGEOLWJZOLHMDE-UHFFFAOYSA-N
XLogP1.72
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912278
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide
CID 111078321
1-(3-methylbutyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111078272
1-tert-butyl-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 110964276
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
1-ethyl-3-(2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111890797
1-butyl-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111151239
1-ethyl-3-(3-methylbutyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110977063
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide
CID 77031820
1-amino-3-(3-ethoxypropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 104884875
(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 109374476
5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide?
The IUPAC name of N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide (CID 63176642) is N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide.
What is the SMILES notation for N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide?
The canonical SMILES for N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide is CC/C(N)=N\Cc1cnc(C)s1.
What is the InChIKey of N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide?
The InChIKey is FGEOLWJZOLHMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-3-8(9)11-5-7-4-10-6(2)12-7/h4H,3,5H2,1-2H3,(H2,9,11).
What are the key properties of N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide?
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide has a molecular weight of 183.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide is sourced from PubChem (CID 63176642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).