2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole

C109H103N7S15 — CID 158381049

IUPAC2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole
SMILESCc1cc(-c2ccccc2)c(C)s1.Cc1cc2c(cc1C)Sc1ccccc1S2.Cc1ccc(C)c2c1Sc1ccccc1S2.Cc1ccc2c(c1)Sc1c(C)cccc1S2.Cc1ccc2c(c1)Sc1cccc(C)c1S2.Cc1cccc2c1Sc1c(C)cccc1S2.Cc1cccc2c1Sc1cccc(C)c1S2.Cc1csc(C)n1.Cc1nnc(C)nn1.Cc1nnc(C)s1
InChIInChI=1S/6C14H12S2.C12H12S.C5H7NS.C4H6N4.C4H6N2S/c1-9-5-3-7-11-13(9)15-12-8-4-6-10(2)14(12)16-11;1-9-5-3-7-11-13(9)16-14-10(2)6-4-8-12(14)15-11;1-9-6-7-11-13(8-9)15-12-5-3-4-10(2)14(12)16-11;1-9-6-7-11-13(8-9)16-14-10(2)4-3-5-12(14)15-11;1-9-7-13-14(8-10(9)2)16-12-6-4-3-5-11(12)15-13;1-9-7-8-10(2)14-13(9)15-11-5-3-4-6-12(11)16-14;1-9-8-12(10(2)13-9)11-6-4-3-5-7-11;1-4-3-7-5(2)6-4;1-3-5-7-4(2)8-6-3;1-3-5-6-4(2)7-3/h6*3-8H,1-2H3;3-8H,1-2H3;3H,1-2H3;1-2H3;1-2H3
InChIKeyGVUGZRICLYNTHU-UHFFFAOYSA-N
MW1992.08 g/mol
LogP36.35
Rot. Bonds1

About 2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole

2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole (PubChem CID 158381049) has the molecular formula C109H103N7S15 and a molecular weight of 1992.08 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole
PubChem CID158381049
Molecular FormulaC109H103N7S15
Molecular Weight1992.08 g/mol
Exact Mass1989.41
IUPAC Name2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole
SMILESCc1cc(-c2ccccc2)c(C)s1.Cc1cc2c(cc1C)Sc1ccccc1S2.Cc1ccc(C)c2c1Sc1ccccc1S2.Cc1ccc2c(c1)Sc1c(C)cccc1S2.Cc1ccc2c(c1)Sc1cccc(C)c1S2.Cc1cccc2c1Sc1c(C)cccc1S2.Cc1cccc2c1Sc1cccc(C)c1S2.Cc1csc(C)n1.Cc1nnc(C)nn1.Cc1nnc(C)s1
InChIInChI=1S/6C14H12S2.C12H12S.C5H7NS.C4H6N4.C4H6N2S/c1-9-5-3-7-11-13(9)15-12-8-4-6-10(2)14(12)16-11;1-9-5-3-7-11-13(9)16-14-10(2)6-4-8-12(14)15-11;1-9-6-7-11-13(8-9)15-12-5-3-4-10(2)14(12)16-11;1-9-6-7-11-13(8-9)16-14-10(2)4-3-5-12(14)15-11;1-9-7-13-14(8-10(9)2)16-12-6-4-3-5-11(12)15-13;1-9-7-8-10(2)14-13(9)15-11-5-3-4-6-12(11)16-14;1-9-8-12(10(2)13-9)11-6-4-3-5-7-11;1-4-3-7-5(2)6-4;1-3-5-7-4(2)8-6-3;1-3-5-6-4(2)7-3/h6*3-8H,1-2H3;3-8H,1-2H3;3H,1-2H3;1-2H3;1-2H3
InChIKeyGVUGZRICLYNTHU-UHFFFAOYSA-N
XLogP36.35
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds1
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001992.08
LogP ≤ 536.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole (CID 158381049) is 2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole is Cc1cc(-c2ccccc2)c(C)s1.Cc1cc2c(cc1C)Sc1ccccc1S2.Cc1ccc(C)c2c1Sc1ccccc1S2.Cc1ccc2c(c1)Sc1c(C)cccc1S2.Cc1ccc2c(c1)Sc1cccc(C)c1S2.Cc1cccc2c1Sc1c(C)cccc1S2.Cc1cccc2c1Sc1cccc(C)c1S2.Cc1csc(C)n1.Cc1nnc(C)nn1.Cc1nnc(C)s1.
What is the InChIKey of 2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole?
The InChIKey is GVUGZRICLYNTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C14H12S2.C12H12S.C5H7NS.C4H6N4.C4H6N2S/c1-9-5-3-7-11-13(9)15-12-8-4-6-10(2)14(12)16-11;1-9-5-3-7-11-13(9)16-14-10(2)6-4-8-12(14)15-11;1-9-6-7-11-13(8-9)15-12-5-3-4-10(2)14(12)16-11;1-9-6-7-11-13(8-9)16-14-10(2)4-3-5-12(14)15-11;1-9-7-13-14(8-10(9)2)16-12-6-4-3-5-11(12)15-13;1-9-7-8-10(2)14-13(9)15-11-5-3-4-6-12(11)16-14;1-9-8-12(10(2)13-9)11-6-4-3-5-7-11;1-4-3-7-5(2)6-4;1-3-5-7-4(2)8-6-3;1-3-5-6-4(2)7-3/h6*3-8H,1-2H3;3-8H,1-2H3;3H,1-2H3;1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole?
2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole has a molecular weight of 1992.08 g/mol, XLogP of 36.35, 1 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenylthiophene;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethyl-1,3,4-thiadiazole;1,4-dimethylthianthrene;1,6-dimethylthianthrene;1,7-dimethylthianthrene;1,8-dimethylthianthrene;1,9-dimethylthianthrene;2,3-dimethylthianthrene;2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 158381049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).