2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine

C19H33N5S — CID 111514528

IUPAC2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine
SMILESC/N=C(\NCc1ncc(C)s1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C19H33N5S/c1-16-13-21-17(25-16)14-22-18(20-2)23-15-19(9-5-3-6-10-19)24-11-7-4-8-12-24/h13H,3-12,14-15H2,1-2H3,(H2,20,22,23)
InChIKeyUVNUBNPXSVTKII-UHFFFAOYSA-N
MW363.58 g/mol
LogP3.31
Rot. Bonds5

About 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine

2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine (PubChem CID 111514528) has the molecular formula C19H33N5S and a molecular weight of 363.58 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine
PubChem CID111514528
Molecular FormulaC19H33N5S
Molecular Weight363.58 g/mol
Exact Mass363.25
IUPAC Name2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine
SMILESC/N=C(\NCc1ncc(C)s1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C19H33N5S/c1-16-13-21-17(25-16)14-22-18(20-2)23-15-19(9-5-3-6-10-19)24-11-7-4-8-12-24/h13H,3-12,14-15H2,1-2H3,(H2,20,22,23)
InChIKeyUVNUBNPXSVTKII-UHFFFAOYSA-N
XLogP3.31
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.58
LogP ≤ 53.31
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

2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111509902
1-[3-(azepan-1-yl)propyl]-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111516051
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111515544
1-(cyclooctylmethyl)-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111523323
1-ethyl-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111522316
2-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111004466
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111985249
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111292612
2-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111292642
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111522433
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111523952
2-methyl-1-(2-methylpropyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111511667

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine (CID 111514528) is 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine is C/N=C(\NCc1ncc(C)s1)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine?
The InChIKey is UVNUBNPXSVTKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5S/c1-16-13-21-17(25-16)14-22-18(20-2)23-15-19(9-5-3-6-10-19)24-11-7-4-8-12-24/h13H,3-12,14-15H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine?
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine has a molecular weight of 363.58 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 111514528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).