N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide

C12H20N4S — CID 136530651

IUPACN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide
SMILESCc1csc(C(C)C/N=C(\N)N2CCCC2)n1
InChIInChI=1S/C12H20N4S/c1-9(11-15-10(2)8-17-11)7-14-12(13)16-5-3-4-6-16/h8-9H,3-7H2,1-2H3,(H2,13,14)
InChIKeyJLJVPUKJAGZWDP-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.97
Rot. Bonds3

About N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide

N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide (PubChem CID 136530651) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide
PubChem CID136530651
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide
SMILESCc1csc(C(C)C/N=C(\N)N2CCCC2)n1
InChIInChI=1S/C12H20N4S/c1-9(11-15-10(2)8-17-11)7-14-12(13)16-5-3-4-6-16/h8-9H,3-7H2,1-2H3,(H2,13,14)
InChIKeyJLJVPUKJAGZWDP-UHFFFAOYSA-N
XLogP1.97
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.97
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)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110032535
4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide
CID 110032524
N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 110032546
N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]azepane-1-carboximidamide
CID 75495266
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032561
1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 110032554
N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111098854
1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032607
2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 110032566
N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111819205
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
1-(azepan-1-yl)-3-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-one
CID 75383314

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide (CID 136530651) is N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide is Cc1csc(C(C)C/N=C(\N)N2CCCC2)n1.
What is the InChIKey of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide?
The InChIKey is JLJVPUKJAGZWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-9(11-15-10(2)8-17-11)7-14-12(13)16-5-3-4-6-16/h8-9H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide?
N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide has a molecular weight of 252.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 136530651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).