5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

C20H19N5S2 — CID 25497396

IUPAC5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1c(-c2ccccc2)sc2ncnc(N3CCN(c4nccs4)CC3)c12
InChIInChI=1S/C20H19N5S2/c1-14-16-18(24-8-10-25(11-9-24)20-21-7-12-26-20)22-13-23-19(16)27-17(14)15-5-3-2-4-6-15/h2-7,12-13H,8-11H2,1H3
InChIKeyRPKQZNFDISSLSN-UHFFFAOYSA-N
MW393.54 g/mol
LogP4.45
Rot. Bonds3

About 5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 25497396) has the molecular formula C20H19N5S2 and a molecular weight of 393.54 g/mol. Its IUPAC name is 5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID25497396
Molecular FormulaC20H19N5S2
Molecular Weight393.54 g/mol
Exact Mass393.11
IUPAC Name5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1c(-c2ccccc2)sc2ncnc(N3CCN(c4nccs4)CC3)c12
InChIInChI=1S/C20H19N5S2/c1-14-16-18(24-8-10-25(11-9-24)20-21-7-12-26-20)22-13-23-19(16)27-17(14)15-5-3-2-4-6-15/h2-7,12-13H,8-11H2,1H3
InChIKeyRPKQZNFDISSLSN-UHFFFAOYSA-N
XLogP4.45
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 25497396) is 5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is Cc1c(-c2ccccc2)sc2ncnc(N3CCN(c4nccs4)CC3)c12.
What is the InChIKey of 5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is RPKQZNFDISSLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S2/c1-14-16-18(24-8-10-25(11-9-24)20-21-7-12-26-20)22-13-23-19(16)27-17(14)15-5-3-2-4-6-15/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 393.54 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 25497396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).