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

C18H20N6OS — CID 126894905

IUPAC3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCOc1ncnc2ccc(N3CCN(c4nc(C5CC5)ns4)CC3)cc12
InChIInChI=1S/C18H20N6OS/c1-25-17-14-10-13(4-5-15(14)19-11-20-17)23-6-8-24(9-7-23)18-21-16(22-26-18)12-2-3-12/h4-5,10-12H,2-3,6-9H2,1H3
InChIKeyTZEYQEYANYOEJA-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.69
Rot. Bonds4

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

3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 126894905) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID126894905
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCOc1ncnc2ccc(N3CCN(c4nc(C5CC5)ns4)CC3)cc12
InChIInChI=1S/C18H20N6OS/c1-25-17-14-10-13(4-5-15(14)19-11-20-17)23-6-8-24(9-7-23)18-21-16(22-26-18)12-2-3-12/h4-5,10-12H,2-3,6-9H2,1H3
InChIKeyTZEYQEYANYOEJA-UHFFFAOYSA-N
XLogP2.69
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 126894790
3-(methoxymethyl)-5-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 126896749
4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
CID 126894723
5-cyclopropyl-4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126894838
3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one
CID 126894874
4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689
4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126894690
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
3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133354316

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole (CID 126894905) is 3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole is COc1ncnc2ccc(N3CCN(c4nc(C5CC5)ns4)CC3)cc12.
What is the InChIKey of 3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is TZEYQEYANYOEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-25-17-14-10-13(4-5-15(14)19-11-20-17)23-6-8-24(9-7-23)18-21-16(22-26-18)12-2-3-12/h4-5,10-12H,2-3,6-9H2,1H3.
What are the key properties of 3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 368.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 126894905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).