N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide

C9H15N3S — CID 63283564

IUPACN'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide
SMILESCCC/C(N)=N\Cc1scnc1C
InChIInChI=1S/C9H15N3S/c1-3-4-9(10)11-5-8-7(2)12-6-13-8/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeyBWLXOJSVHCGGRR-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.11
Rot. Bonds4

About N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide

N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide (PubChem CID 63283564) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide.

Molecular Properties

Compound NameN'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide
PubChem CID63283564
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide
SMILESCCC/C(N)=N\Cc1scnc1C
InChIInChI=1S/C9H15N3S/c1-3-4-9(10)11-5-8-7(2)12-6-13-8/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeyBWLXOJSVHCGGRR-UHFFFAOYSA-N
XLogP2.11
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide?
The IUPAC name of N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide (CID 63283564) is N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide.
What is the SMILES notation for N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide?
The canonical SMILES for N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide is CCC/C(N)=N\Cc1scnc1C.
What is the InChIKey of N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide?
The InChIKey is BWLXOJSVHCGGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-4-9(10)11-5-8-7(2)12-6-13-8/h6H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide?
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide has a molecular weight of 197.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide is sourced from PubChem (CID 63283564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).