N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide

C19H34IN5OS — CID 111571530

IUPACN,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
SMILESC/N=C(\NCCc1csc(C(C)C)n1)NCC1(C(=O)N(C)C)CCCC1.I
InChIInChI=1S/C19H33N5OS.HI/c1-14(2)16-23-15(12-26-16)8-11-21-18(20-3)22-13-19(9-6-7-10-19)17(25)24(4)5;/h12,14H,6-11,13H2,1-5H3,(H2,20,21,22);1H
InChIKeyIBUZKMKOUZMUGC-UHFFFAOYSA-N
MW507.49 g/mol
LogP3.24
Rot. Bonds7

About N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide

N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide (PubChem CID 111571530) has the molecular formula C19H34IN5OS and a molecular weight of 507.49 g/mol. Its IUPAC name is N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
PubChem CID111571530
Molecular FormulaC19H34IN5OS
Molecular Weight507.49 g/mol
Exact Mass507.15
IUPAC NameN,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
SMILESC/N=C(\NCCc1csc(C(C)C)n1)NCC1(C(=O)N(C)C)CCCC1.I
InChIInChI=1S/C19H33N5OS.HI/c1-14(2)16-23-15(12-26-16)8-11-21-18(20-3)22-13-19(9-6-7-10-19)17(25)24(4)5;/h12,14H,6-11,13H2,1-5H3,(H2,20,21,22);1H
InChIKeyIBUZKMKOUZMUGC-UHFFFAOYSA-N
XLogP3.24
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[[N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111569626
N,N-dimethyl-1-[[[N'-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111981865
1-[[[N-[2-(4-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570806
1-[[[N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570330
1-[[[N-[2-(2,6-difluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111572184
N,N-dimethyl-1-[[[N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111572131
1-[[(N-butyl-N'-methylcarbamimidoyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571750
1-(2-cycloheptyloxyethyl)-2-methyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111576122
N,N-dimethyl-1-[[[N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111569910
1-(2-ethoxyethyl)-2-methyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111897013
1-[[[N-[3-(4-methoxyphenyl)propyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571430
1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111653107

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
The IUPAC name of N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide (CID 111571530) is N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide is C/N=C(\NCCc1csc(C(C)C)n1)NCC1(C(=O)N(C)C)CCCC1.I.
What is the InChIKey of N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
The InChIKey is IBUZKMKOUZMUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5OS.HI/c1-14(2)16-23-15(12-26-16)8-11-21-18(20-3)22-13-19(9-6-7-10-19)17(25)24(4)5;/h12,14H,6-11,13H2,1-5H3,(H2,20,21,22);1H.
What are the key properties of N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide has a molecular weight of 507.49 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide is sourced from PubChem (CID 111571530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).