2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate

C15H20N4S — CID 10062660

IUPAC2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate
SMILESC/N=C(/NCCc1ccccc1)SCCc1cnc[nH]1
InChIInChI=1S/C15H20N4S/c1-16-15(20-10-8-14-11-17-12-19-14)18-9-7-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyLRTNPNFXVWWKEO-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.50
Rot. Bonds6

About 2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate

2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate (PubChem CID 10062660) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate
PubChem CID10062660
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate
SMILESC/N=C(/NCCc1ccccc1)SCCc1cnc[nH]1
InChIInChI=1S/C15H20N4S/c1-16-15(20-10-8-14-11-17-12-19-14)18-9-7-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyLRTNPNFXVWWKEO-UHFFFAOYSA-N
XLogP2.50
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.50
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'}

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
3-(1H-imidazol-5-yl)propyl N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidothioate
CID 10426315
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
3-(1H-imidazol-5-yl)propyl N'-(2-phenylethyl)carbamimidothioate
CID 10085528
2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide
CID 70183155
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide
CID 65231264
2-[[3-[[[dimethylamino-[2-(1H-imidazol-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1,1-dimethylguanidine
CID 10793819
3-(1H-imidazol-5-yl)propyl N-benzyl-N'-[(3,4-dichlorophenyl)methyl]carbamimidothioate;dihydrobromide
CID 56851605
2-(1H-imidazol-5-yl)ethanamine;phenol
CID 67627701
(3S)-3-amino-4-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]-4-oxobutanoic acid
CID 67112441
5-(2-methylsulfanylethyl)-1H-imidazole
CID 141211352

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate?
The IUPAC name of 2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate (CID 10062660) is 2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate.
What is the SMILES notation for 2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate?
The canonical SMILES for 2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate is C/N=C(/NCCc1ccccc1)SCCc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate?
The InChIKey is LRTNPNFXVWWKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-16-15(20-10-8-14-11-17-12-19-14)18-9-7-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate?
2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate has a molecular weight of 288.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate is sourced from PubChem (CID 10062660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).