N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide

C15H18N4S — CID 111495398

IUPACN'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ncc(C)s1)N1CCc2ccccc21
InChIInChI=1S/C15H18N4S/c1-11-9-17-14(20-11)10-18-15(16-2)19-8-7-12-5-3-4-6-13(12)19/h3-6,9H,7-8,10H2,1-2H3,(H,16,18)
InChIKeyLGPCBNKMGJUJHD-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.59
Rot. Bonds2

About N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide

N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 111495398) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID111495398
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ncc(C)s1)N1CCc2ccccc21
InChIInChI=1S/C15H18N4S/c1-11-9-17-14(20-11)10-18-15(16-2)19-8-7-12-5-3-4-6-13(12)19/h3-6,9H,7-8,10H2,1-2H3,(H,16,18)
InChIKeyLGPCBNKMGJUJHD-UHFFFAOYSA-N
XLogP2.59
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.59
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'}

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Related Compounds

N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984898
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983974
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 111495333
N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110985056
N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983456
N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110985120
N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984232
N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide
CID 110984132
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116485
N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983986

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide (CID 111495398) is N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCc1ncc(C)s1)N1CCc2ccccc21.
What is the InChIKey of N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is LGPCBNKMGJUJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-11-9-17-14(20-11)10-18-15(16-2)19-8-7-12-5-3-4-6-13(12)19/h3-6,9H,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide?
N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 286.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 111495398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).