2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C17H19N7OS — CID 133455500

IUPAC2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cccc2ncnc(N3CCN(CC(=O)Nc4nncs4)CC3)c12
InChIInChI=1S/C17H19N7OS/c1-12-3-2-4-13-15(12)16(19-10-18-13)24-7-5-23(6-8-24)9-14(25)21-17-22-20-11-26-17/h2-4,10-11H,5-9H2,1H3,(H,21,22,25)
InChIKeySDWDVYQPVJODDX-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.55
Rot. Bonds4

About 2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 133455500) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID133455500
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cccc2ncnc(N3CCN(CC(=O)Nc4nncs4)CC3)c12
InChIInChI=1S/C17H19N7OS/c1-12-3-2-4-13-15(12)16(19-10-18-13)24-7-5-23(6-8-24)9-14(25)21-17-22-20-11-26-17/h2-4,10-11H,5-9H2,1H3,(H,21,22,25)
InChIKeySDWDVYQPVJODDX-UHFFFAOYSA-N
XLogP1.55
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60520975
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 17375351
2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455431
2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455449
2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455565
2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455547
2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22200280
N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133416210
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 51119848
2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133452114
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47034364
2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455494

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 133455500) is 2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1cccc2ncnc(N3CCN(CC(=O)Nc4nncs4)CC3)c12.
What is the InChIKey of 2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is SDWDVYQPVJODDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-12-3-2-4-13-15(12)16(19-10-18-13)24-7-5-23(6-8-24)9-14(25)21-17-22-20-11-26-17/h2-4,10-11H,5-9H2,1H3,(H,21,22,25).
What are the key properties of 2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 133455500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).