2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole

C43H62N4O2S2 — CID 159387911

IUPAC2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole
SMILESCc1ccn(C)c1C.Cc1ccnn1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cn(C)cc1C.Cc1cocc1C.Cc1cscc1C
InChIInChI=1S/2C7H11N.2C6H8O.2C6H8S.C5H8N2/c1-6-4-8(3)5-7(6)2;1-6-4-5-8(3)7(6)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-4-6-7(5)2/h2*4-5H,1-3H3;5*3-4H,1-2H3
InChIKeyLLSVGRRNXIMUEP-UHFFFAOYSA-N
MW731.13 g/mol
LogP12.54
Rot. Bonds

About 2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole

2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole (PubChem CID 159387911) has the molecular formula C43H62N4O2S2 and a molecular weight of 731.13 g/mol. Its IUPAC name is 2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole.

Molecular Properties

Compound Name2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole
PubChem CID159387911
Molecular FormulaC43H62N4O2S2
Molecular Weight731.13 g/mol
Exact Mass730.43
IUPAC Name2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole
SMILESCc1ccn(C)c1C.Cc1ccnn1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cn(C)cc1C.Cc1cocc1C.Cc1cscc1C
InChIInChI=1S/2C7H11N.2C6H8O.2C6H8S.C5H8N2/c1-6-4-8(3)5-7(6)2;1-6-4-5-8(3)7(6)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-4-6-7(5)2/h2*4-5H,1-3H3;5*3-4H,1-2H3
InChIKeyLLSVGRRNXIMUEP-UHFFFAOYSA-N
XLogP12.54
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.13
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-furylmethyl)[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl](3-thienylmethyl)amine
CID 50983604
1-(1-allyl-3-methyl-1H-pyrazol-4-yl)-N-(2-furylmethyl)-N-(2-thienylmethyl)methanamine
CID 46995428
2-(4-methylpyrazol-1-yl)-N,N-bis[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 53623450
1-(2,2-Difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 157177074
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
[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone
CID 42634093
[3-[2-(Furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone
CID 70497392
[3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone
CID 143924423
1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole
CID 157078803
1-Tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole
CID 157096905
2,3-Di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 157125478
1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;3,4,5-trimethyl-1,2-oxazole
CID 157212422

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole?
The IUPAC name of 2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole (CID 159387911) is 2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole.
What is the SMILES notation for 2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole?
The canonical SMILES for 2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole is Cc1ccn(C)c1C.Cc1ccnn1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cn(C)cc1C.Cc1cocc1C.Cc1cscc1C.
What is the InChIKey of 2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole?
The InChIKey is LLSVGRRNXIMUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H11N.2C6H8O.2C6H8S.C5H8N2/c1-6-4-8(3)5-7(6)2;1-6-4-5-8(3)7(6)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-4-6-7(5)2/h2*4-5H,1-3H3;5*3-4H,1-2H3.
What are the key properties of 2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole?
2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole has a molecular weight of 731.13 g/mol, XLogP of 12.54, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole is sourced from PubChem (CID 159387911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).