2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C17H17BrN6OS — CID 133455405

IUPAC2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccc3cc(Br)ccc3n2)CC1)Nc1nncs1
InChIInChI=1S/C17H17BrN6OS/c18-13-2-3-14-12(9-13)1-4-15(20-14)24-7-5-23(6-8-24)10-16(25)21-17-22-19-11-26-17/h1-4,9,11H,5-8,10H2,(H,21,22,25)
InChIKeyIDJDCQBSDDNTQH-UHFFFAOYSA-N
MW433.34 g/mol
LogP2.61
Rot. Bonds4

About 2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 133455405) has the molecular formula C17H17BrN6OS and a molecular weight of 433.34 g/mol. Its IUPAC name is 2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID133455405
Molecular FormulaC17H17BrN6OS
Molecular Weight433.34 g/mol
Exact Mass432.04
IUPAC Name2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccc3cc(Br)ccc3n2)CC1)Nc1nncs1
InChIInChI=1S/C17H17BrN6OS/c18-13-2-3-14-12(9-13)1-4-15(20-14)24-7-5-23(6-8-24)10-16(25)21-17-22-19-11-26-17/h1-4,9,11H,5-8,10H2,(H,21,22,25)
InChIKeyIDJDCQBSDDNTQH-UHFFFAOYSA-N
XLogP2.61
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(5-bromo-2-nitrophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455498
2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455494
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 17375351
2-[4-(2-bromo-4-cyanophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455468
2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455507
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-(5-chloro-2-cyanophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455423
2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22200280
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 51119848
2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166158
2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455500

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 133455405) is 2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(CN1CCN(c2ccc3cc(Br)ccc3n2)CC1)Nc1nncs1.
What is the InChIKey of 2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is IDJDCQBSDDNTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN6OS/c18-13-2-3-14-12(9-13)1-4-15(20-14)24-7-5-23(6-8-24)10-16(25)21-17-22-19-11-26-17/h1-4,9,11H,5-8,10H2,(H,21,22,25).
What are the key properties of 2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 433.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 133455405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).