2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C14H20IN5S — CID 111806949

IUPAC2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCc1nc(C/N=C(\N)NCCc2ccccn2)cs1.I
InChIInChI=1S/C14H19N5S.HI/c1-2-13-19-12(10-20-13)9-18-14(15)17-8-6-11-5-3-4-7-16-11;/h3-5,7,10H,2,6,8-9H2,1H3,(H3,15,17,18);1H
InChIKeyUTHZMBKEORBCJE-UHFFFAOYSA-N
MW417.32 g/mol
LogP2.37
Rot. Bonds6

About 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111806949) has the molecular formula C14H20IN5S and a molecular weight of 417.32 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111806949
Molecular FormulaC14H20IN5S
Molecular Weight417.32 g/mol
Exact Mass417.05
IUPAC Name2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCc1nc(C/N=C(\N)NCCc2ccccn2)cs1.I
InChIInChI=1S/C14H19N5S.HI/c1-2-13-19-12(10-20-13)9-18-14(15)17-8-6-11-5-3-4-7-16-11;/h3-5,7,10H,2,6,8-9H2,1H3,(H3,15,17,18);1H
InChIKeyUTHZMBKEORBCJE-UHFFFAOYSA-N
XLogP2.37
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.32
LogP ≤ 52.37
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111038291
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119147213
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111757816
2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111098814
2-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111100736
1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111023230
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111806939
2-[(3-methyl-2-pyridinyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111802397
2-[(2-methylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111031430
1-butyl-2-(pyridin-2-ylmethyl)guanidine
CID 111023231
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111806981

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111806949) is 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CCc1nc(C/N=C(\N)NCCc2ccccn2)cs1.I.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is UTHZMBKEORBCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S.HI/c1-2-13-19-12(10-20-13)9-18-14(15)17-8-6-11-5-3-4-7-16-11;/h3-5,7,10H,2,6,8-9H2,1H3,(H3,15,17,18);1H.
What are the key properties of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 417.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111806949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).