4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine

C23H22ClN3OS2 — CID 142690091

IUPAC4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESClc1nc(-c2ccc(OCCN3CCCCC3)cc2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C23H22ClN3OS2/c24-21-20-18(19-5-4-14-29-19)15-30-23(20)26-22(25-21)16-6-8-17(9-7-16)28-13-12-27-10-2-1-3-11-27/h4-9,14-15H,1-3,10-13H2
InChIKeyDLCSIRUVGFUQKI-UHFFFAOYSA-N
MW456.04 g/mol
LogP6.60
Rot. Bonds6

About 4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine

4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine (PubChem CID 142690091) has the molecular formula C23H22ClN3OS2 and a molecular weight of 456.04 g/mol. Its IUPAC name is 4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine
PubChem CID142690091
Molecular FormulaC23H22ClN3OS2
Molecular Weight456.04 g/mol
Exact Mass455.09
IUPAC Name4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESClc1nc(-c2ccc(OCCN3CCCCC3)cc2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C23H22ClN3OS2/c24-21-20-18(19-5-4-14-29-19)15-30-23(20)26-22(25-21)16-6-8-17(9-7-16)28-13-12-27-10-2-1-3-11-27/h4-9,14-15H,1-3,10-13H2
InChIKeyDLCSIRUVGFUQKI-UHFFFAOYSA-N
XLogP6.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.04
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 142690098
[2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 138857572
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
3-[2-(4-ethoxyphenoxy)ethyl]-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 17398602
2-(piperidin-1-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2097897
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
CID 18678156
3-[[2-(4-methoxyphenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylpyrrole-2,5-dione
CID 69402903
3-[methyl-[5-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]pyrrole-2,5-dione;dihydrochloride
CID 69402997
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium
CID 42601400

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine (CID 142690091) is 4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine is Clc1nc(-c2ccc(OCCN3CCCCC3)cc2)nc2scc(-c3cccs3)c12.
What is the InChIKey of 4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is DLCSIRUVGFUQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3OS2/c24-21-20-18(19-5-4-14-29-19)15-30-23(20)26-22(25-21)16-6-8-17(9-7-16)28-13-12-27-10-2-1-3-11-27/h4-9,14-15H,1-3,10-13H2.
What are the key properties of 4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 456.04 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 142690091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).