1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide

C10H19IN4S — CID 110935746

IUPAC1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
SMILESCc1ncsc1C/N=C(\N)NCC(C)C.I
InChIInChI=1S/C10H18N4S.HI/c1-7(2)4-12-10(11)13-5-9-8(3)14-6-15-9;/h6-7H,4-5H2,1-3H3,(H3,11,12,13);1H
InChIKeyPWFHAXCKNCQGKG-UHFFFAOYSA-N
MW354.26 g/mol
LogP2.13
Rot. Bonds4

About 1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide

1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide (PubChem CID 110935746) has the molecular formula C10H19IN4S and a molecular weight of 354.26 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
PubChem CID110935746
Molecular FormulaC10H19IN4S
Molecular Weight354.26 g/mol
Exact Mass354.04
IUPAC Name1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
SMILESCc1ncsc1C/N=C(\N)NCC(C)C.I
InChIInChI=1S/C10H18N4S.HI/c1-7(2)4-12-10(11)13-5-9-8(3)14-6-15-9;/h6-7H,4-5H2,1-3H3,(H3,11,12,13);1H
InChIKeyPWFHAXCKNCQGKG-UHFFFAOYSA-N
XLogP2.13
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 52.13
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

2-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111100736
2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111099473
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111100780
1-(2,6-diethylphenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111100716
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide
CID 63283564
1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111935578
1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111931111
2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine
CID 106373219
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110912092
1-(2-methylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine
CID 111802574
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111100700
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 63284109

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide (CID 110935746) is 1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide is Cc1ncsc1C/N=C(\N)NCC(C)C.I.
What is the InChIKey of 1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide?
The InChIKey is PWFHAXCKNCQGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S.HI/c1-7(2)4-12-10(11)13-5-9-8(3)14-6-15-9;/h6-7H,4-5H2,1-3H3,(H3,11,12,13);1H.
What are the key properties of 1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide?
1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide has a molecular weight of 354.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110935746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).