1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine

C15H24N6S — CID 111536265

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
SMILESCCc1cnc(CN/C(=N/C)NCCCc2cnn(C)c2)s1
InChIInChI=1S/C15H24N6S/c1-4-13-9-18-14(22-13)10-19-15(16-2)17-7-5-6-12-8-20-21(3)11-12/h8-9,11H,4-7,10H2,1-3H3,(H2,16,17,19)
InChIKeyDPFQYRPUBYSWEM-UHFFFAOYSA-N
MW320.47 g/mol
LogP1.74
Rot. Bonds7

About 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine (PubChem CID 111536265) has the molecular formula C15H24N6S and a molecular weight of 320.47 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
PubChem CID111536265
Molecular FormulaC15H24N6S
Molecular Weight320.47 g/mol
Exact Mass320.18
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
SMILESCCc1cnc(CN/C(=N/C)NCCCc2cnn(C)c2)s1
InChIInChI=1S/C15H24N6S/c1-4-13-9-18-14(22-13)10-19-15(16-2)17-7-5-6-12-8-20-21(3)11-12/h8-9,11H,4-7,10H2,1-3H3,(H2,16,17,19)
InChIKeyDPFQYRPUBYSWEM-UHFFFAOYSA-N
XLogP1.74
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[3-(4-chlorophenyl)propyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111535974
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111534886
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111512881
1-(2-ethylbutyl)-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111891059
1-cyclopropyl-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 110934875
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[3-(methanesulfonamido)propyl]-2-methylguanidine
CID 111534562
1-[4-(diethylamino)butyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111534887
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 111534222
1-[3-(cyclopropylmethoxy)propyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111518988
1-[2-(5-bromothiophen-2-yl)ethyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 111533779
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111182770
1-(2-ethoxyethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 111534482

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine (CID 111536265) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine is CCc1cnc(CN/C(=N/C)NCCCc2cnn(C)c2)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine?
The InChIKey is DPFQYRPUBYSWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6S/c1-4-13-9-18-14(22-13)10-19-15(16-2)17-7-5-6-12-8-20-21(3)11-12/h8-9,11H,4-7,10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine has a molecular weight of 320.47 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine is sourced from PubChem (CID 111536265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).