1,3-dimethyl-2-thiophen-2-yl-2H-perimidine

C17H16N2S — CID 830671

IUPAC1,3-dimethyl-2-thiophen-2-yl-2H-perimidine
SMILESCN1c2cccc3cccc(c23)N(C)C1c1cccs1
InChIInChI=1S/C17H16N2S/c1-18-13-8-3-6-12-7-4-9-14(16(12)13)19(2)17(18)15-10-5-11-20-15/h3-11,17H,1-2H3
InChIKeyPPAWOMWZJDVSEW-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.49
Rot. Bonds1

About 1,3-dimethyl-2-thiophen-2-yl-2H-perimidine

1,3-dimethyl-2-thiophen-2-yl-2H-perimidine (PubChem CID 830671) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 1,3-dimethyl-2-thiophen-2-yl-2H-perimidine.

Molecular Properties

Compound Name1,3-dimethyl-2-thiophen-2-yl-2H-perimidine
PubChem CID830671
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name1,3-dimethyl-2-thiophen-2-yl-2H-perimidine
SMILESCN1c2cccc3cccc(c23)N(C)C1c1cccs1
InChIInChI=1S/C17H16N2S/c1-18-13-8-3-6-12-7-4-9-14(16(12)13)19(2)17(18)15-10-5-11-20-15/h3-11,17H,1-2H3
InChIKeyPPAWOMWZJDVSEW-UHFFFAOYSA-N
XLogP4.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-thiophen-2-yl-2H-perimidine?
The IUPAC name of 1,3-dimethyl-2-thiophen-2-yl-2H-perimidine (CID 830671) is 1,3-dimethyl-2-thiophen-2-yl-2H-perimidine.
What is the SMILES notation for 1,3-dimethyl-2-thiophen-2-yl-2H-perimidine?
The canonical SMILES for 1,3-dimethyl-2-thiophen-2-yl-2H-perimidine is CN1c2cccc3cccc(c23)N(C)C1c1cccs1.
What is the InChIKey of 1,3-dimethyl-2-thiophen-2-yl-2H-perimidine?
The InChIKey is PPAWOMWZJDVSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-18-13-8-3-6-12-7-4-9-14(16(12)13)19(2)17(18)15-10-5-11-20-15/h3-11,17H,1-2H3.
What are the key properties of 1,3-dimethyl-2-thiophen-2-yl-2H-perimidine?
1,3-dimethyl-2-thiophen-2-yl-2H-perimidine has a molecular weight of 280.40 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-thiophen-2-yl-2H-perimidine is sourced from PubChem (CID 830671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).