2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole

C19H22N6OS — CID 126894790

IUPAC2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCOc1ncnc2ccc(N3CCN(Cc4nnc(C5CC5)s4)CC3)cc12
InChIInChI=1S/C19H22N6OS/c1-26-18-15-10-14(4-5-16(15)20-12-21-18)25-8-6-24(7-9-25)11-17-22-23-19(27-17)13-2-3-13/h4-5,10,12-13H,2-3,6-9,11H2,1H3
InChIKeyABSOXOITAFZLBY-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.69
Rot. Bonds5

About 2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole

2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole (PubChem CID 126894790) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
PubChem CID126894790
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCOc1ncnc2ccc(N3CCN(Cc4nnc(C5CC5)s4)CC3)cc12
InChIInChI=1S/C19H22N6OS/c1-26-18-15-10-14(4-5-16(15)20-12-21-18)25-8-6-24(7-9-25)11-17-22-23-19(27-17)13-2-3-13/h4-5,10,12-13H,2-3,6-9,11H2,1H3
InChIKeyABSOXOITAFZLBY-UHFFFAOYSA-N
XLogP2.69
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole with MolForge

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Related Compounds

2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 126894384
5-cyclopropyl-4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126894838
4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126894690
2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126894717
6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894896
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
4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689
4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740
3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 126894905
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882
4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline
CID 126894851
6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894751

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole (CID 126894790) is 2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole is COc1ncnc2ccc(N3CCN(Cc4nnc(C5CC5)s4)CC3)cc12.
What is the InChIKey of 2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole?
The InChIKey is ABSOXOITAFZLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-26-18-15-10-14(4-5-16(15)20-12-21-18)25-8-6-24(7-9-25)11-17-22-23-19(27-17)13-2-3-13/h4-5,10,12-13H,2-3,6-9,11H2,1H3.
What are the key properties of 2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole has a molecular weight of 382.49 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 126894790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).