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

C15H27IN4S — CID 109421775

IUPAC2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/CC)N(C)Cc1csc(C)n1.I
InChIInChI=1S/C15H26N4S.HI/c1-5-7-12-8-14(12)18-15(16-6-2)19(4)9-13-10-20-11(3)17-13;/h10,12,14H,5-9H2,1-4H3,(H,16,18);1H
InChIKeyBHZIFGLZSMEWNK-UHFFFAOYSA-N
MW422.38 g/mol
LogP3.66
Rot. Bonds6

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

2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide (PubChem CID 109421775) has the molecular formula C15H27IN4S and a molecular weight of 422.38 g/mol. Its IUPAC name is 2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide
PubChem CID109421775
Molecular FormulaC15H27IN4S
Molecular Weight422.38 g/mol
Exact Mass422.10
IUPAC Name2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/CC)N(C)Cc1csc(C)n1.I
InChIInChI=1S/C15H26N4S.HI/c1-5-7-12-8-14(12)18-15(16-6-2)19(4)9-13-10-20-11(3)17-13;/h10,12,14H,5-9H2,1-4H3,(H,16,18);1H
InChIKeyBHZIFGLZSMEWNK-UHFFFAOYSA-N
XLogP3.66
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
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-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423031
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-propylcyclopropyl)guanidine
CID 111713790
3-ethyl-1-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423121
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylguanidine
CID 109423768
2-(cyclopropylmethyl)-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109421889
3-(3-cyclopropylpropyl)-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109421453
1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2-phenylcyclopropyl)methyl]guanidine
CID 109421476
3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109422243
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(E)-pent-3-enyl]guanidine;hydroiodide
CID 109423057
N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
CID 62609265
3-[2-(1-ethylpiperidin-4-yl)ethyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109424481
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 109424333

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide (CID 109421775) is 2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide is CCCC1CC1N/C(=N/CC)N(C)Cc1csc(C)n1.I.
What is the InChIKey of 2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The InChIKey is BHZIFGLZSMEWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S.HI/c1-5-7-12-8-14(12)18-15(16-6-2)19(4)9-13-10-20-11(3)17-13;/h10,12,14H,5-9H2,1-4H3,(H,16,18);1H.
What are the key properties of 2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide?
2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide has a molecular weight of 422.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 109421775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).