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

C13H13N5S2 — CID 17436243

IUPAC4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESc1csc(N2CCN(c3ncnc4sccc34)CC2)n1
InChIInChI=1S/C13H13N5S2/c1-7-19-12-10(1)11(15-9-16-12)17-3-5-18(6-4-17)13-14-2-8-20-13/h1-2,7-9H,3-6H2
InChIKeyVOCCCDKWVRJPCB-UHFFFAOYSA-N
MW303.42 g/mol
LogP2.47
Rot. Bonds2

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

4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 17436243) has the molecular formula C13H13N5S2 and a molecular weight of 303.42 g/mol. Its IUPAC name is 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID17436243
Molecular FormulaC13H13N5S2
Molecular Weight303.42 g/mol
Exact Mass303.06
IUPAC Name4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESc1csc(N2CCN(c3ncnc4sccc34)CC2)n1
InChIInChI=1S/C13H13N5S2/c1-7-19-12-10(1)11(15-9-16-12)17-3-5-18(6-4-17)13-14-2-8-20-13/h1-2,7-9H,3-6H2
InChIKeyVOCCCDKWVRJPCB-UHFFFAOYSA-N
XLogP2.47
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 17436243) is 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is c1csc(N2CCN(c3ncnc4sccc34)CC2)n1.
What is the InChIKey of 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is VOCCCDKWVRJPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S2/c1-7-19-12-10(1)11(15-9-16-12)17-3-5-18(6-4-17)13-14-2-8-20-13/h1-2,7-9H,3-6H2.
What are the key properties of 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 303.42 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 17436243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).