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

C22H23N5OS2 — CID 133279000

IUPAC2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
SMILESCOCc1nc(N2CCN(c3nc(C)cs3)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H23N5OS2/c1-15-13-30-22(23-15)27-10-8-26(9-11-27)20-19-17(16-6-4-3-5-7-16)14-29-21(19)25-18(24-20)12-28-2/h3-7,13-14H,8-12H2,1-2H3
InChIKeyWWJBTPLNWNODJU-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.60
Rot. Bonds5

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

2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 133279000) has the molecular formula C22H23N5OS2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
PubChem CID133279000
Molecular FormulaC22H23N5OS2
Molecular Weight437.59 g/mol
Exact Mass437.13
IUPAC Name2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
SMILESCOCc1nc(N2CCN(c3nc(C)cs3)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H23N5OS2/c1-15-13-30-22(23-15)27-10-8-26(9-11-27)20-19-17(16-6-4-3-5-7-16)14-29-21(19)25-18(24-20)12-28-2/h3-7,13-14H,8-12H2,1-2H3
InChIKeyWWJBTPLNWNODJU-UHFFFAOYSA-N
XLogP4.60
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine (CID 133279000) is 2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine is COCc1nc(N2CCN(c3nc(C)cs3)CC2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is WWJBTPLNWNODJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS2/c1-15-13-30-22(23-15)27-10-8-26(9-11-27)20-19-17(16-6-4-3-5-7-16)14-29-21(19)25-18(24-20)12-28-2/h3-7,13-14H,8-12H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 437.59 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133279000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).