2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide

C11H21IN4S — CID 119116815

IUPAC2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(/NCc1nccs1)NC(C)C(C)C.I
InChIInChI=1S/C11H20N4S.HI/c1-8(2)9(3)15-11(12-4)14-7-10-13-5-6-16-10;/h5-6,8-9H,7H2,1-4H3,(H2,12,14,15);1H
InChIKeyAZFRORWMNVHDMZ-UHFFFAOYSA-N
MW368.29 g/mol
LogP2.47
Rot. Bonds4

About 2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide

2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide (PubChem CID 119116815) has the molecular formula C11H21IN4S and a molecular weight of 368.29 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide
PubChem CID119116815
Molecular FormulaC11H21IN4S
Molecular Weight368.29 g/mol
Exact Mass368.05
IUPAC Name2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(/NCc1nccs1)NC(C)C(C)C.I
InChIInChI=1S/C11H20N4S.HI/c1-8(2)9(3)15-11(12-4)14-7-10-13-5-6-16-10;/h5-6,8-9H,7H2,1-4H3,(H2,12,14,15);1H
InChIKeyAZFRORWMNVHDMZ-UHFFFAOYSA-N
XLogP2.47
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 52.47
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-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine
CID 119131208
1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000366
1-(isoquinolin-1-ylmethyl)-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111001124
1-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002774
1-[(4-bromothiophen-2-yl)methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111002485
(2S)-3-methyl-2-(1,3-thiazol-2-ylmethylcarbamoylamino)butanoic acid
CID 54963020
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001803
1-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000480
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111002889
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid
CID 82848501
2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110511

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide (CID 119116815) is 2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide is C/N=C(/NCc1nccs1)NC(C)C(C)C.I.
What is the InChIKey of 2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is AZFRORWMNVHDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S.HI/c1-8(2)9(3)15-11(12-4)14-7-10-13-5-6-16-10;/h5-6,8-9H,7H2,1-4H3,(H2,12,14,15);1H.
What are the key properties of 2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide?
2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 368.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119116815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).