2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene

C30H38N2O2S2 — CID 158400531

IUPAC2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene
SMILESCc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1
InChIInChI=1S/2C5H7N.2C5H6O.2C5H6S/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h2*2-4,6H,1H3;4*2-4H,1H3
InChIKeyGYAXDNTZPCYAAN-UHFFFAOYSA-N
MW522.78 g/mol
LogP9.94
Rot. Bonds

About 2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene

2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene (PubChem CID 158400531) has the molecular formula C30H38N2O2S2 and a molecular weight of 522.78 g/mol. Its IUPAC name is 2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Name2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene
PubChem CID158400531
Molecular FormulaC30H38N2O2S2
Molecular Weight522.78 g/mol
Exact Mass522.24
IUPAC Name2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene
SMILESCc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1
InChIInChI=1S/2C5H7N.2C5H6O.2C5H6S/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h2*2-4,6H,1H3;4*2-4H,1H3
InChIKeyGYAXDNTZPCYAAN-UHFFFAOYSA-N
XLogP9.94
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.78
LogP ≤ 59.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene with MolForge

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Related Compounds

2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 2459051
Furyl(thienyl)pyrrole
CID 129782024
2-Chloro-1,4-dimethylpyrrole;2-chloro-4-methylfuran;2-chloro-4-methylthiophene;1,2-dimethyl-5-(trifluoromethyl)pyrrole;1,4-dimethyl-2-(trifluoromethyl)pyrrole;4-methyl-2-(trifluoromethyl)furan;2-methyl-5-(trifluoromethyl)thiophene;4-methyl-2-(trifluoromethyl)thiophene
CID 161875321
(2E)-3-(2-furyl)-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
CID 46995818
N-(2-furylmethyl)-N-(3-thienylmethyl)-1H-pyrrole-2-carboxamide
CID 46985690
(E)-3-(furan-2-yl)-N-((1-methyl-1H-pyrrol-2-yl)methyl)-N-(thiophen-2-ylmethyl)acrylamide
CID 49754157
methyl 5-[6-(furan-2-yl)-3-methylsulfonyl-3-(1H-pyrrol-2-yl)hexyl]thiophene-2-carboxylate
CID 57255187
4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole
CID 91804953
2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole
CID 129059198
2-[5-(furan-2-yl)thiophen-2-yl]-1H-pyrrole
CID 130254975
2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole
CID 134244088
2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole
CID 140989006

Frequently Asked Questions

What is the IUPAC name of 2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene?
The IUPAC name of 2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene (CID 158400531) is 2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for 2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene?
The canonical SMILES for 2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene is Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.
What is the InChIKey of 2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene?
The InChIKey is GYAXDNTZPCYAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N.2C5H6O.2C5H6S/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h2*2-4,6H,1H3;4*2-4H,1H3.
What are the key properties of 2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene?
2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene has a molecular weight of 522.78 g/mol, XLogP of 9.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 158400531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).