N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide

C10H17N3S — CID 106043202

IUPACN'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide
SMILESCCC/C(N)=N\CCc1csc(C)n1
InChIInChI=1S/C10H17N3S/c1-3-4-10(11)12-6-5-9-7-14-8(2)13-9/h7H,3-6H2,1-2H3,(H2,11,12)
InChIKeyPNSXVLPOSVOXLE-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.15
Rot. Bonds5

About N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide

N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide (PubChem CID 106043202) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide.

Molecular Properties

Compound NameN'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide
PubChem CID106043202
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide
SMILESCCC/C(N)=N\CCc1csc(C)n1
InChIInChI=1S/C10H17N3S/c1-3-4-10(11)12-6-5-9-7-14-8(2)13-9/h7H,3-6H2,1-2H3,(H2,11,12)
InChIKeyPNSXVLPOSVOXLE-UHFFFAOYSA-N
XLogP2.15
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.15
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

N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide
CID 63244937
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide
CID 106043191
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine
CID 103635624
3-ethyl-1-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423121
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-octylguanidine;hydroiodide
CID 111041287
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-propylcyclopropyl)guanidine
CID 111713790
N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 57374618
1-ethyl-3-(3-methylbutan-2-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111002765
1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111041271
1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110989379
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
tert-butyl 4-[N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111041335

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide?
The IUPAC name of N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide (CID 106043202) is N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide.
What is the SMILES notation for N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide?
The canonical SMILES for N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide is CCC/C(N)=N\CCc1csc(C)n1.
What is the InChIKey of N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide?
The InChIKey is PNSXVLPOSVOXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-4-10(11)12-6-5-9-7-14-8(2)13-9/h7H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide?
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide has a molecular weight of 211.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide is sourced from PubChem (CID 106043202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).