5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole

C16H16ClFN4S — CID 164709946

IUPAC5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole
SMILESCc1c(-c2nc(Cl)ncc2F)sc2c1nc(C)n2C1CCCC1
InChIInChI=1S/C16H16ClFN4S/c1-8-12-15(22(9(2)20-12)10-5-3-4-6-10)23-14(8)13-11(18)7-19-16(17)21-13/h7,10H,3-6H2,1-2H3
InChIKeyWZUKEXSOEAVBTK-UHFFFAOYSA-N
MW350.85 g/mol
LogP5.08
Rot. Bonds2

About 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole

5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole (PubChem CID 164709946) has the molecular formula C16H16ClFN4S and a molecular weight of 350.85 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole.

Molecular Properties

Compound Name5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole
PubChem CID164709946
Molecular FormulaC16H16ClFN4S
Molecular Weight350.85 g/mol
Exact Mass350.08
IUPAC Name5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole
SMILESCc1c(-c2nc(Cl)ncc2F)sc2c1nc(C)n2C1CCCC1
InChIInChI=1S/C16H16ClFN4S/c1-8-12-15(22(9(2)20-12)10-5-3-4-6-10)23-14(8)13-11(18)7-19-16(17)21-13/h7,10H,3-6H2,1-2H3
InChIKeyWZUKEXSOEAVBTK-UHFFFAOYSA-N
XLogP5.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole?
The IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole (CID 164709946) is 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole.
What is the SMILES notation for 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole?
The canonical SMILES for 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole is Cc1c(-c2nc(Cl)ncc2F)sc2c1nc(C)n2C1CCCC1.
What is the InChIKey of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole?
The InChIKey is WZUKEXSOEAVBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4S/c1-8-12-15(22(9(2)20-12)10-5-3-4-6-10)23-14(8)13-11(18)7-19-16(17)21-13/h7,10H,3-6H2,1-2H3.
What are the key properties of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole?
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole has a molecular weight of 350.85 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole is sourced from PubChem (CID 164709946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).