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

C12H16IN5S — CID 119147213

IUPAC2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCCc1nc(C/N=C(\N)Nc2ccccn2)cs1.I
InChIInChI=1S/C12H15N5S.HI/c1-2-11-16-9(8-18-11)7-15-12(13)17-10-5-3-4-6-14-10;/h3-6,8H,2,7H2,1H3,(H3,13,14,15,17);1H
InChIKeyAXAKQCMTQFAOOF-UHFFFAOYSA-N
MW389.27 g/mol
LogP2.65
Rot. Bonds4

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

2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 119147213) has the molecular formula C12H16IN5S and a molecular weight of 389.27 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID119147213
Molecular FormulaC12H16IN5S
Molecular Weight389.27 g/mol
Exact Mass389.02
IUPAC Name2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCCc1nc(C/N=C(\N)Nc2ccccn2)cs1.I
InChIInChI=1S/C12H15N5S.HI/c1-2-11-16-9(8-18-11)7-15-12(13)17-10-5-3-4-6-14-10;/h3-6,8H,2,7H2,1H3,(H3,13,14,15,17);1H
InChIKeyAXAKQCMTQFAOOF-UHFFFAOYSA-N
XLogP2.65
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 52.65
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'}

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Related Compounds

2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111806949
1-(2,6-diethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111806909
1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
CID 111911715
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111806939
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110927510
1-pyridin-2-yl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 119148362
2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119159391
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111806981
3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 119119560
1-(3-chloro-4-methoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111806970
1-(2-methoxyphenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111802603
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 119147213) is 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide is CCc1nc(C/N=C(\N)Nc2ccccn2)cs1.I.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is AXAKQCMTQFAOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S.HI/c1-2-11-16-9(8-18-11)7-15-12(13)17-10-5-3-4-6-14-10;/h3-6,8H,2,7H2,1H3,(H3,13,14,15,17);1H.
What are the key properties of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 389.27 g/mol, XLogP of 2.65, 4 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-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 119147213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).