1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine

C16H18ClN5S — CID 111294505

IUPAC1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine
SMILESC/N=C(/NCc1cn2ccsc2n1)N(C)Cc1ccccc1Cl
InChIInChI=1S/C16H18ClN5S/c1-18-15(21(2)10-12-5-3-4-6-14(12)17)19-9-13-11-22-7-8-23-16(22)20-13/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyFDSKRZYRVFRYGH-UHFFFAOYSA-N
MW347.88 g/mol
LogP3.26
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine

1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine (PubChem CID 111294505) has the molecular formula C16H18ClN5S and a molecular weight of 347.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine
PubChem CID111294505
Molecular FormulaC16H18ClN5S
Molecular Weight347.88 g/mol
Exact Mass347.10
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine
SMILESC/N=C(/NCc1cn2ccsc2n1)N(C)Cc1ccccc1Cl
InChIInChI=1S/C16H18ClN5S/c1-18-15(21(2)10-12-5-3-4-6-14(12)17)19-9-13-11-22-7-8-23-16(22)20-13/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyFDSKRZYRVFRYGH-UHFFFAOYSA-N
XLogP3.26
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.88
LogP ≤ 53.26
H-Bond Donors ≤ 51
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

3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111271623
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(3-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 119131372
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111299707
3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide
CID 111281510
1-[(2-chlorophenyl)methyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 111294464
1-[(2-chlorophenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]-1,2-dimethylguanidine
CID 111295089
1-[(2-chlorophenyl)methyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 111294432
4-[[[N-[(2-chlorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]methyl]-N-ethylbenzamide
CID 111294311
N-[3-[[N-[(2-chlorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111294512
N-[2-[[N-[(2-chlorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111294953
3-[2-(2-chlorophenyl)ethyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109420852
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047252

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine (CID 111294505) is 1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine is C/N=C(/NCc1cn2ccsc2n1)N(C)Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine?
The InChIKey is FDSKRZYRVFRYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5S/c1-18-15(21(2)10-12-5-3-4-6-14(12)17)19-9-13-11-22-7-8-23-16(22)20-13/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine?
1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine has a molecular weight of 347.88 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine is sourced from PubChem (CID 111294505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).