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

C11H19IN4S — CID 111962006

IUPAC2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCc1cnc(C)s1)NC1CC1C.I
InChIInChI=1S/C11H18N4S.HI/c1-7-4-10(7)15-11(12-3)14-6-9-5-13-8(2)16-9;/h5,7,10H,4,6H2,1-3H3,(H2,12,14,15);1H
InChIKeyAHTMYTBNCGEAMX-UHFFFAOYSA-N
MW366.27 g/mol
LogP2.14
Rot. Bonds3

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

2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide (PubChem CID 111962006) has the molecular formula C11H19IN4S and a molecular weight of 366.27 g/mol. Its IUPAC name is 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
PubChem CID111962006
Molecular FormulaC11H19IN4S
Molecular Weight366.27 g/mol
Exact Mass366.04
IUPAC Name2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCc1cnc(C)s1)NC1CC1C.I
InChIInChI=1S/C11H18N4S.HI/c1-7-4-10(7)15-11(12-3)14-6-9-5-13-8(2)16-9;/h5,7,10H,4,6H2,1-3H3,(H2,12,14,15);1H
InChIKeyAHTMYTBNCGEAMX-UHFFFAOYSA-N
XLogP2.14
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 52.14
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-(cyclopropylmethyl)-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111868293
2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylguanidine;hydroiodide
CID 111227976
2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119151764
2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471054
2-methyl-1-(4-methylpentyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111942934
N,N-dimethyl-2-[[N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 119133045
2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416732
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 109468548
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110985432
2-methyl-1-[1-(4-methylphenyl)pyrrolidin-3-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111923877
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111392605
2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111420952

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide (CID 111962006) is 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide is C/N=C(\NCc1cnc(C)s1)NC1CC1C.I.
What is the InChIKey of 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide?
The InChIKey is AHTMYTBNCGEAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S.HI/c1-7-4-10(7)15-11(12-3)14-6-9-5-13-8(2)16-9;/h5,7,10H,4,6H2,1-3H3,(H2,12,14,15);1H.
What are the key properties of 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide?
2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide has a molecular weight of 366.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111962006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).