4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine

C24H21N5O2S4 — CID 2796210

IUPAC4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ncnc5scc(-c6ccccc6)c45)CC3)s2)cs1
InChIInChI=1S/C24H21N5O2S4/c1-16-27-19(14-32-16)20-7-8-21(34-20)35(30,31)29-11-9-28(10-12-29)23-22-18(17-5-3-2-4-6-17)13-33-24(22)26-15-25-23/h2-8,13-15H,9-12H2,1H3
InChIKeyLTHQPAHRYJXSTK-UHFFFAOYSA-N
MW539.73 g/mol
LogP5.36
Rot. Bonds5

About 4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine

4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 2796210) has the molecular formula C24H21N5O2S4 and a molecular weight of 539.73 g/mol. Its IUPAC name is 4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
PubChem CID2796210
Molecular FormulaC24H21N5O2S4
Molecular Weight539.73 g/mol
Exact Mass539.06
IUPAC Name4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ncnc5scc(-c6ccccc6)c45)CC3)s2)cs1
InChIInChI=1S/C24H21N5O2S4/c1-16-27-19(14-32-16)20-7-8-21(34-20)35(30,31)29-11-9-28(10-12-29)23-22-18(17-5-3-2-4-6-17)13-33-24(22)26-15-25-23/h2-8,13-15H,9-12H2,1H3
InChIKeyLTHQPAHRYJXSTK-UHFFFAOYSA-N
XLogP5.36
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.73
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine (CID 2796210) is 4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine is Cc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ncnc5scc(-c6ccccc6)c45)CC3)s2)cs1.
What is the InChIKey of 4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is LTHQPAHRYJXSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S4/c1-16-27-19(14-32-16)20-7-8-21(34-20)35(30,31)29-11-9-28(10-12-29)23-22-18(17-5-3-2-4-6-17)13-33-24(22)26-15-25-23/h2-8,13-15H,9-12H2,1H3.
What are the key properties of 4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 539.73 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2796210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).