2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide

C9H17IN4S — CID 110912278

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCc1ncc(C/N=C(\N)NC(C)C)s1.I
InChIInChI=1S/C9H16N4S.HI/c1-6(2)13-9(10)12-5-8-4-11-7(3)14-8;/h4,6H,5H2,1-3H3,(H3,10,12,13);1H
InChIKeyCJQYJVDLUIFOLQ-UHFFFAOYSA-N
MW340.23 g/mol
LogP1.88
Rot. Bonds3

About 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide

2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 110912278) has the molecular formula C9H17IN4S and a molecular weight of 340.23 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID110912278
Molecular FormulaC9H17IN4S
Molecular Weight340.23 g/mol
Exact Mass340.02
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCc1ncc(C/N=C(\N)NC(C)C)s1.I
InChIInChI=1S/C9H16N4S.HI/c1-6(2)13-9(10)12-5-8-4-11-7(3)14-8;/h4,6H,5H2,1-3H3,(H3,10,12,13);1H
InChIKeyCJQYJVDLUIFOLQ-UHFFFAOYSA-N
XLogP1.88
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(3-methylbutyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111078272
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide
CID 63176642
2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111078311
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111078308
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 60777585
1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine
CID 62363334
1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110747788
2-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylguanidine
CID 62363317
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylguanidine
CID 62364874
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 119120494
1-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110947847
2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 114700720

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide (CID 110912278) is 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide is Cc1ncc(C/N=C(\N)NC(C)C)s1.I.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is CJQYJVDLUIFOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S.HI/c1-6(2)13-9(10)12-5-8-4-11-7(3)14-8;/h4,6H,5H2,1-3H3,(H3,10,12,13);1H.
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide?
2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 340.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 110912278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).