1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine

C13H23N5S — CID 111964011

IUPAC1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine
SMILESC/N=C(\NCc1csc(N(C)C)n1)NC1CCCC1
InChIInChI=1S/C13H23N5S/c1-14-12(16-10-6-4-5-7-10)15-8-11-9-19-13(17-11)18(2)3/h9-10H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyLPBVBXFGTOSWOD-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.82
Rot. Bonds4

About 1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine

1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine (PubChem CID 111964011) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine
PubChem CID111964011
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine
SMILESC/N=C(\NCc1csc(N(C)C)n1)NC1CCCC1
InChIInChI=1S/C13H23N5S/c1-14-12(16-10-6-4-5-7-10)15-8-11-9-19-13(17-11)18(2)3/h9-10H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyLPBVBXFGTOSWOD-UHFFFAOYSA-N
XLogP1.82
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111964323
1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 109400686
1-cyclohexyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119115680
1-butyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111964240
1-cyclopentyl-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylguanidine
CID 110990983
1-[(4-chlorophenyl)methyl]-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine
CID 111964187
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111964940
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 109404730
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 111964597
1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 110989877
1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119114480
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine
CID 110992695

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine (CID 111964011) is 1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine is C/N=C(\NCc1csc(N(C)C)n1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine?
The InChIKey is LPBVBXFGTOSWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-14-12(16-10-6-4-5-7-10)15-8-11-9-19-13(17-11)18(2)3/h9-10H,4-8H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine?
1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine has a molecular weight of 281.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine is sourced from PubChem (CID 111964011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).