4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole

C18H21N5OS — CID 126894690

IUPAC4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOc1ncnc2ccc(N3CCN(Cc4csc(C)n4)CC3)cc12
InChIInChI=1S/C18H21N5OS/c1-13-21-14(11-25-13)10-22-5-7-23(8-6-22)15-3-4-17-16(9-15)18(24-2)20-12-19-17/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyXWZCGNFWAHUIHD-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.73
Rot. Bonds4

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

4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 126894690) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID126894690
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOc1ncnc2ccc(N3CCN(Cc4csc(C)n4)CC3)cc12
InChIInChI=1S/C18H21N5OS/c1-13-21-14(11-25-13)10-22-5-7-23(8-6-22)15-3-4-17-16(9-15)18(24-2)20-12-19-17/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyXWZCGNFWAHUIHD-UHFFFAOYSA-N
XLogP2.73
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740
6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894751
2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126894717
2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 126894790
4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
CID 126894723
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
3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 126894808
5-cyclopropyl-4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126894838
4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689
4-(2,2-difluoroethoxy)-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126896504
4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895527

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 126894690) is 4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole is COc1ncnc2ccc(N3CCN(Cc4csc(C)n4)CC3)cc12.
What is the InChIKey of 4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is XWZCGNFWAHUIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-13-21-14(11-25-13)10-22-5-7-23(8-6-22)15-3-4-17-16(9-15)18(24-2)20-12-19-17/h3-4,9,11-12H,5-8,10H2,1-2H3.
What are the key properties of 4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 355.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 126894690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).