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

C15H24F3IN4S — CID 111774195

IUPAC2-methyl-1-(4-methylcyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCc1nc(C(F)(F)F)cs1)NC1CCC(C)CC1.I
InChIInChI=1S/C15H23F3N4S.HI/c1-10-3-5-11(6-4-10)21-14(19-2)20-8-7-13-22-12(9-23-13)15(16,17)18;/h9-11H,3-8H2,1-2H3,(H2,19,20,21);1H
InChIKeyBJSQHPKVVNJXCK-UHFFFAOYSA-N
MW476.35 g/mol
LogP4.07
Rot. Bonds4

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

2-methyl-1-(4-methylcyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide (PubChem CID 111774195) has the molecular formula C15H24F3IN4S and a molecular weight of 476.35 g/mol. Its IUPAC name is 2-methyl-1-(4-methylcyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(4-methylcyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
PubChem CID111774195
Molecular FormulaC15H24F3IN4S
Molecular Weight476.35 g/mol
Exact Mass476.07
IUPAC Name2-methyl-1-(4-methylcyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCc1nc(C(F)(F)F)cs1)NC1CCC(C)CC1.I
InChIInChI=1S/C15H23F3N4S.HI/c1-10-3-5-11(6-4-10)21-14(19-2)20-8-7-13-22-12(9-23-13)15(16,17)18;/h9-11H,3-8H2,1-2H3,(H2,19,20,21);1H
InChIKeyBJSQHPKVVNJXCK-UHFFFAOYSA-N
XLogP4.07
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 54.07
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

CID 136981899
CID 136981899
CID 137141148
CID 137141148
CID 137151611
CID 137151611
CID 137151615
CID 137151615
CID 137151619
CID 137151619
CID 137151634
CID 137151634
CID 162565633
CID 162565633
CID 51082353
CID 51082353
CID 64366304
CID 64366304
CID 64753674
CID 64753674
CID 64754076
CID 64754076
CID 64755104
CID 64755104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide (CID 111774195) is 2-methyl-1-(4-methylcyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(4-methylcyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(4-methylcyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide is C/N=C(\NCCc1nc(C(F)(F)F)cs1)NC1CCC(C)CC1.I.
What is the InChIKey of 2-methyl-1-(4-methylcyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide?
The InChIKey is BJSQHPKVVNJXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4S.HI/c1-10-3-5-11(6-4-10)21-14(19-2)20-8-7-13-22-12(9-23-13)15(16,17)18;/h9-11H,3-8H2,1-2H3,(H2,19,20,21);1H.
What are the key properties of 2-methyl-1-(4-methylcyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide?
2-methyl-1-(4-methylcyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide has a molecular weight of 476.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylcyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111774195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).