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

C22H18N6S2 — CID 112814910

IUPAC4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESc1csc(-c2nc(N3CCN(c4ncnc5sccc45)CC3)c3ccccc3n2)c1
InChIInChI=1S/C22H18N6S2/c1-2-5-17-15(4-1)21(26-19(25-17)18-6-3-12-29-18)28-10-8-27(9-11-28)20-16-7-13-30-22(16)24-14-23-20/h1-7,12-14H,8-11H2
InChIKeyULRQRAGQKWGCKO-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.69
Rot. Bonds3

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

4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 112814910) has the molecular formula C22H18N6S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID112814910
Molecular FormulaC22H18N6S2
Molecular Weight430.56 g/mol
Exact Mass430.10
IUPAC Name4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESc1csc(-c2nc(N3CCN(c4ncnc5sccc45)CC3)c3ccccc3n2)c1
InChIInChI=1S/C22H18N6S2/c1-2-5-17-15(4-1)21(26-19(25-17)18-6-3-12-29-18)28-10-8-27(9-11-28)20-16-7-13-30-22(16)24-14-23-20/h1-7,12-14H,8-11H2
InChIKeyULRQRAGQKWGCKO-UHFFFAOYSA-N
XLogP4.69
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-benzhydrylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 91964409
4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 155942506
4-(4-benzylpiperazin-4-ium-1-yl)-2-thiophen-2-ylquinazoline
CID 2514358
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
CID 26440749
[(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2578088
4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline
CID 133280074
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
CID 2491762
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 9109711
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
2-[2-(phenoxymethyl)benzimidazol-1-yl]-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 112813450

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 112814910) is 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is c1csc(-c2nc(N3CCN(c4ncnc5sccc45)CC3)c3ccccc3n2)c1.
What is the InChIKey of 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is ULRQRAGQKWGCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6S2/c1-2-5-17-15(4-1)21(26-19(25-17)18-6-3-12-29-18)28-10-8-27(9-11-28)20-16-7-13-30-22(16)24-14-23-20/h1-7,12-14H,8-11H2.
What are the key properties of 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 430.56 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 112814910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).