2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine

C16H14N2S — CID 761629

IUPAC2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine
SMILESCc1ccc(C2Nc3cccc4cccc(c34)N2)s1
InChIInChI=1S/C16H14N2S/c1-10-8-9-14(19-10)16-17-12-6-2-4-11-5-3-7-13(18-16)15(11)12/h2-9,16-18H,1H3
InChIKeyTWLCHPQEGKAWQZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.75
Rot. Bonds1

About 2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine

2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine (PubChem CID 761629) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine
PubChem CID761629
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine
SMILESCc1ccc(C2Nc3cccc4cccc(c34)N2)s1
InChIInChI=1S/C16H14N2S/c1-10-8-9-14(19-10)16-17-12-6-2-4-11-5-3-7-13(18-16)15(11)12/h2-9,16-18H,1H3
InChIKeyTWLCHPQEGKAWQZ-UHFFFAOYSA-N
XLogP4.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-Dihydro-1H-perimidin-2-YL)phenyl methyl sulfide
CID 668466
N-1-naphthyl-N'-(2-thienylmethyl)thiourea
CID 970583
2-Thiophen-2-yl-2,3-dihydro-1H-perimidine
CID 257242
1-(2,3-Dimethyl-phenyl)-3-(9-thiophen-2-ylmethyl-9-aza-bicyclo[3.3.1]non-3-yl)-thiourea
CID 3218183
2-(5-bromo-2-thienyl)-2,3-dihydro-1H-perimidine
CID 761638
1,3-dimethyl-2-(2-thienyl)-2,3-dihydro-1H-perimidine
CID 830671
Prsvdqrinujfck-uhfffaoysa-
CID 12324886
1,2,3,4-tetrahydro-2-(2-thienyl)Quinazoline
CID 11837453
3-(2,3-dihydro-1H-perimidin-2-yl)-4-fluorobenzenethiol
CID 143556376
2-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-perimidine
CID 153742401
N-[[5-(1-fluoroethenyl)-3,4-dimethylthiophen-2-yl]methyl]-N'-(4-methylidene-2,3-dihydro-1H-quinolin-2-yl)propane-1,3-diamine
CID 163878682
N-[(Thiophen-2-yl)methyl]naphthalen-1-amine
CID 225109

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine (CID 761629) is 2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine is Cc1ccc(C2Nc3cccc4cccc(c34)N2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine?
The InChIKey is TWLCHPQEGKAWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-10-8-9-14(19-10)16-17-12-6-2-4-11-5-3-7-13(18-16)15(11)12/h2-9,16-18H,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine?
2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine has a molecular weight of 266.37 g/mol, XLogP of 4.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 761629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).