1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine

C14H23N5S — CID 111161517

IUPAC1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine
SMILESCCCCCCN/C(=N\C)NCc1cn2ccsc2n1
InChIInChI=1S/C14H23N5S/c1-3-4-5-6-7-16-13(15-2)17-10-12-11-19-8-9-20-14(19)18-12/h8-9,11H,3-7,10H2,1-2H3,(H2,15,16,17)
InChIKeySFAAUCLIUIQNEP-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.64
Rot. Bonds7

About 1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine

1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine (PubChem CID 111161517) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine
PubChem CID111161517
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine
SMILESCCCCCCN/C(=N\C)NCc1cn2ccsc2n1
InChIInChI=1S/C14H23N5S/c1-3-4-5-6-7-16-13(15-2)17-10-12-11-19-8-9-20-14(19)18-12/h8-9,11H,3-7,10H2,1-2H3,(H2,15,16,17)
InChIKeySFAAUCLIUIQNEP-UHFFFAOYSA-N
XLogP2.64
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.64
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

1-[2-(2-butoxyethoxy)ethyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide
CID 111693979
1-(3-ethoxy-4-methylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine
CID 111716934
1-[2-(furan-2-yl)ethyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine
CID 111354404
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide
CID 111531472
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide
CID 111701014
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111352044
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111173442
1-[(3-fluoro-4-methylphenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine
CID 111845551
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962171
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine;hydroiodide
CID 111557880
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111393763
1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide
CID 109464907

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine?
The IUPAC name of 1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine (CID 111161517) is 1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine.
What is the SMILES notation for 1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine?
The canonical SMILES for 1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine is CCCCCCN/C(=N\C)NCc1cn2ccsc2n1.
What is the InChIKey of 1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine?
The InChIKey is SFAAUCLIUIQNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-3-4-5-6-7-16-13(15-2)17-10-12-11-19-8-9-20-14(19)18-12/h8-9,11H,3-7,10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine?
1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine has a molecular weight of 293.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine is sourced from PubChem (CID 111161517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).