4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole

C20H23N5O2S — CID 126896722

IUPAC4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole
SMILESc1nc(OC2CCOC2)c2cc(N3CCN(Cc4cnsc4)CC3)ccc2n1
InChIInChI=1S/C20H23N5O2S/c1-2-19-18(20(22-14-21-19)27-17-3-8-26-12-17)9-16(1)25-6-4-24(5-7-25)11-15-10-23-28-13-15/h1-2,9-10,13-14,17H,3-8,11-12H2
InChIKeyUOQZZYWQCMNYPC-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.58
Rot. Bonds5

About 4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole

4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole (PubChem CID 126896722) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole.

Molecular Properties

Compound Name4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole
PubChem CID126896722
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole
SMILESc1nc(OC2CCOC2)c2cc(N3CCN(Cc4cnsc4)CC3)ccc2n1
InChIInChI=1S/C20H23N5O2S/c1-2-19-18(20(22-14-21-19)27-17-3-8-26-12-17)9-16(1)25-6-4-24(5-7-25)11-15-10-23-28-13-15/h1-2,9-10,13-14,17H,3-8,11-12H2
InChIKeyUOQZZYWQCMNYPC-UHFFFAOYSA-N
XLogP2.58
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole with MolForge

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Related Compounds

4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 126896695
3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole
CID 126896702
4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one
CID 126896735
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline
CID 126896635
3-(methoxymethyl)-5-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 126896749
1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896594
[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 126896615
4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895527
4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895365
4-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 126895551
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882
4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
CID 126895391

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole?
The IUPAC name of 4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole (CID 126896722) is 4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole.
What is the SMILES notation for 4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole?
The canonical SMILES for 4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole is c1nc(OC2CCOC2)c2cc(N3CCN(Cc4cnsc4)CC3)ccc2n1.
What is the InChIKey of 4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole?
The InChIKey is UOQZZYWQCMNYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-2-19-18(20(22-14-21-19)27-17-3-8-26-12-17)9-16(1)25-6-4-24(5-7-25)11-15-10-23-28-13-15/h1-2,9-10,13-14,17H,3-8,11-12H2.
What are the key properties of 4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole?
4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole has a molecular weight of 397.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole is sourced from PubChem (CID 126896722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).