N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide

C17H25IN4OS2 — CID 109548863

IUPACN-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
SMILESCN=C(NCCCNC(=O)C1=CC=CS1)N(C)CCC2=CC=CS2.I
InChIInChI=1S/C17H24N4OS2.HI/c1-18-17(21(2)11-8-14-6-3-12-23-14)20-10-5-9-19-16(22)15-7-4-13-24-15;/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,18,20)(H,19,22);1H
InChIKeyKKMOTTNCJNRHTI-UHFFFAOYSA-N
MW492.40 g/mol
LogP—
Rot. Bonds10

About N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide

N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide (PubChem CID 109548863) has the molecular formula C17H25IN4OS2 and a molecular weight of 492.40 g/mol. Its IUPAC name is N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
PubChem CID109548863
Molecular FormulaC17H25IN4OS2
Molecular Weight492.40 g/mol
Exact Mass492.05
IUPAC NameN-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
SMILESCN=C(NCCCNC(=O)C1=CC=CS1)N(C)CCC2=CC=CS2.I
InChIInChI=1S/C17H24N4OS2.HI/c1-18-17(21(2)11-8-14-6-3-12-23-14)20-10-5-9-19-16(22)15-7-4-13-24-15;/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,18,20)(H,19,22);1H
InChIKeyKKMOTTNCJNRHTI-UHFFFAOYSA-N
XLogP—
TPSA113.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity419

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide with MolForge

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Related Compounds

N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
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CID 710249
N-{3-[(2-thienylcarbonyl)amino]propyl}-2-thiophenecarboxamide
CID 1788010
N-[2,2-dimethyl-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]-2-thiophenecarboxamide
CID 2171062
5-methyl-N-[4-[3-[(5-methylthiophene-2-carbonyl)amino]propylamino]butyl]thiophene-2-carboxamide
CID 145954988
N-{6-[(thien-2-ylcarbonyl)amino]hexyl}thiophene-2-carboxamide
CID 3094072
3-[2-(diethylamino)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(thiophen-2-yl)methyl]propanamide
CID 46397325
4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 166184745
N,N'-bis((thiophene-2-carboxamido)propyl)piperazine
CID 2933855
3-(2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-N-(2-(thiophen-2-yl)ethyl)propanamide
CID 49662590
N-[3-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 109378240
N-[3-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]propyl]thiophene-2-carboxamide
CID 109378241

Frequently Asked Questions

What is the IUPAC name of N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide?
The IUPAC name of N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide (CID 109548863) is N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide?
The canonical SMILES for N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide is CN=C(NCCCNC(=O)C1=CC=CS1)N(C)CCC2=CC=CS2.I.
What is the InChIKey of N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide?
The InChIKey is KKMOTTNCJNRHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS2.HI/c1-18-17(21(2)11-8-14-6-3-12-23-14)20-10-5-9-19-16(22)15-7-4-13-24-15;/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,18,20)(H,19,22);1H.
What are the key properties of N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide?
N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide has a molecular weight of 492.40 g/mol, XLogP of not available, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide is sourced from PubChem (CID 109548863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).