2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole

C14H14N2S2 — CID 4787398

IUPAC2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole
SMILESCc1cc(-c2csc(-c3cccs3)n2)c(C)n1C
InChIInChI=1S/C14H14N2S2/c1-9-7-11(10(2)16(9)3)12-8-18-14(15-12)13-5-4-6-17-13/h4-8H,1-3H3
InChIKeyYKMPLDMYOODBMI-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.49
Rot. Bonds2

About 2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole

2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole (PubChem CID 4787398) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole
PubChem CID4787398
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole
SMILESCc1cc(-c2csc(-c3cccs3)n2)c(C)n1C
InChIInChI=1S/C14H14N2S2/c1-9-7-11(10(2)16(9)3)12-8-18-14(15-12)13-5-4-6-17-13/h4-8H,1-3H3
InChIKeyYKMPLDMYOODBMI-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole?
The IUPAC name of 2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole (CID 4787398) is 2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole?
The canonical SMILES for 2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole is Cc1cc(-c2csc(-c3cccs3)n2)c(C)n1C.
What is the InChIKey of 2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole?
The InChIKey is YKMPLDMYOODBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-9-7-11(10(2)16(9)3)12-8-18-14(15-12)13-5-4-6-17-13/h4-8H,1-3H3.
What are the key properties of 2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole?
2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole has a molecular weight of 274.41 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazole is sourced from PubChem (CID 4787398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).