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

C16H18N6OS — CID 126894717

IUPAC2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCOc1ncnc2ccc(N3CCN(c4nnc(C)s4)CC3)cc12
InChIInChI=1S/C16H18N6OS/c1-11-19-20-16(24-11)22-7-5-21(6-8-22)12-3-4-14-13(9-12)15(23-2)18-10-17-14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyODAHXCGVNZKEJQ-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.12
Rot. Bonds3

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

2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 126894717) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID126894717
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCOc1ncnc2ccc(N3CCN(c4nnc(C)s4)CC3)cc12
InChIInChI=1S/C16H18N6OS/c1-11-19-20-16(24-11)22-7-5-21(6-8-22)12-3-4-14-13(9-12)15(23-2)18-10-17-14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyODAHXCGVNZKEJQ-UHFFFAOYSA-N
XLogP2.12
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
CID 126894723
3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 126894905
4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126894690
2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 126894790
6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894896
4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126894625
3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one
CID 126894874
4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline
CID 126894851
4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline
CID 126894707
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882
4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 126894717) is 2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole is COc1ncnc2ccc(N3CCN(c4nnc(C)s4)CC3)cc12.
What is the InChIKey of 2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is ODAHXCGVNZKEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-11-19-20-16(24-11)22-7-5-21(6-8-22)12-3-4-14-13(9-12)15(23-2)18-10-17-14/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 342.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 126894717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).