2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine

C17H31N5S — CID 111019099

IUPAC2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/C)NCCCc2nc(C)cs2)CC1
InChIInChI=1S/C17H31N5S/c1-4-10-22-11-7-15(8-12-22)21-17(18-3)19-9-5-6-16-20-14(2)13-23-16/h13,15H,4-12H2,1-3H3,(H2,18,19,21)
InChIKeyOMJLRAZSNRDGGA-UHFFFAOYSA-N
MW337.54 g/mol
LogP2.42
Rot. Bonds7

About 2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine

2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine (PubChem CID 111019099) has the molecular formula C17H31N5S and a molecular weight of 337.54 g/mol. Its IUPAC name is 2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine
PubChem CID111019099
Molecular FormulaC17H31N5S
Molecular Weight337.54 g/mol
Exact Mass337.23
IUPAC Name2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/C)NCCCc2nc(C)cs2)CC1
InChIInChI=1S/C17H31N5S/c1-4-10-22-11-7-15(8-12-22)21-17(18-3)19-9-5-6-16-20-14(2)13-23-16/h13,15H,4-12H2,1-3H3,(H2,18,19,21)
InChIKeyOMJLRAZSNRDGGA-UHFFFAOYSA-N
XLogP2.42
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111319312
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 111142053
2-methyl-1-(3-phenylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018452
2-methyl-1-(1-propylpiperidin-4-yl)-3-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine;hydroiodide
CID 111827226
1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119114480
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111018011
1-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111922022
1-(3-ethoxypropyl)-2-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111225048
1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111760267
2-methyl-1-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017857
1-cyclohexyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119115680
2-methyl-1-(4-methylsulfanylbutyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111791593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine?
The IUPAC name of 2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine (CID 111019099) is 2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine.
What is the SMILES notation for 2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine?
The canonical SMILES for 2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine is CCCN1CCC(N/C(=N/C)NCCCc2nc(C)cs2)CC1.
What is the InChIKey of 2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine?
The InChIKey is OMJLRAZSNRDGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5S/c1-4-10-22-11-7-15(8-12-22)21-17(18-3)19-9-5-6-16-20-14(2)13-23-16/h13,15H,4-12H2,1-3H3,(H2,18,19,21).
What are the key properties of 2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine?
2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine has a molecular weight of 337.54 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111019099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).