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

C18H24N4S — CID 111739032

IUPACN',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCc1nc(-c2ccccc2)cs1)N1CCC(C)(C)C1
InChIInChI=1S/C18H24N4S/c1-18(2)9-10-22(13-18)17(19-3)20-11-16-21-15(12-23-16)14-7-5-4-6-8-14/h4-8,12H,9-11,13H2,1-3H3,(H,19,20)
InChIKeyGDYXHQLUCDCBJY-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.62
Rot. Bonds3

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

N',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide (PubChem CID 111739032) has the molecular formula C18H24N4S and a molecular weight of 328.49 g/mol. Its IUPAC name is N',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
PubChem CID111739032
Molecular FormulaC18H24N4S
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC NameN',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCc1nc(-c2ccccc2)cs1)N1CCC(C)(C)C1
InChIInChI=1S/C18H24N4S/c1-18(2)9-10-22(13-18)17(19-3)20-11-16-21-15(12-23-16)14-7-5-4-6-8-14/h4-8,12H,9-11,13H2,1-3H3,(H,19,20)
InChIKeyGDYXHQLUCDCBJY-UHFFFAOYSA-N
XLogP3.62
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.62
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-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738646
N'-methyl-4-(oxolane-2-carbonyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide
CID 111302953
N-tert-butyl-2-[[N'-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111385311
N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111738016
N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738797
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111124330
1-(cyclopropylmethyl)-2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111869549
ethyl 4-[[N'-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111330270
N-benzyl-2-[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]acetamide;hydroiodide
CID 111739057
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111375388
2-methyl-1-(2-morpholin-4-ylethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111046238
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260346

Frequently Asked Questions

What is the IUPAC name of N',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide (CID 111739032) is N',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide is C/N=C(/NCc1nc(-c2ccccc2)cs1)N1CCC(C)(C)C1.
What is the InChIKey of N',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is GDYXHQLUCDCBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-18(2)9-10-22(13-18)17(19-3)20-11-16-21-15(12-23-16)14-7-5-4-6-8-14/h4-8,12H,9-11,13H2,1-3H3,(H,19,20).
What are the key properties of N',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide?
N',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 328.49 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111739032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).