2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole

C12H14ClN5S — CID 61256786

IUPAC2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole
SMILESClCc1ccc(N2CCN(c3nccs3)CC2)nn1
InChIInChI=1S/C12H14ClN5S/c13-9-10-1-2-11(16-15-10)17-4-6-18(7-5-17)12-14-3-8-19-12/h1-3,8H,4-7,9H2
InChIKeyJNTDKRPIIMUXSW-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.00
Rot. Bonds3

About 2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole

2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole (PubChem CID 61256786) has the molecular formula C12H14ClN5S and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole
PubChem CID61256786
Molecular FormulaC12H14ClN5S
Molecular Weight295.80 g/mol
Exact Mass295.07
IUPAC Name2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole
SMILESClCc1ccc(N2CCN(c3nccs3)CC2)nn1
InChIInChI=1S/C12H14ClN5S/c13-9-10-1-2-11(16-15-10)17-4-6-18(7-5-17)12-14-3-8-19-12/h1-3,8H,4-7,9H2
InChIKeyJNTDKRPIIMUXSW-UHFFFAOYSA-N
XLogP2.00
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(azetidin-1-yl)-6-(chloromethyl)pyridazine
CID 130548160
1-[6-(chloromethyl)pyridazin-3-yl]-4-methyl-1,4-diazepane
CID 61255108
[6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 43528572
4-[6-(chloromethyl)pyridazin-3-yl]-1,4-thiazepane
CID 61419469
4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride
CID 82036401
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
2-[4-[4-(chloromethyl)-3-pyridinyl]piperazin-1-yl]-1,3-thiazole
CID 105067252
4-chloro-5-(chloromethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 80687206
actinium;[4-(chloromethyl)phenyl]methylazanide;[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide
CID 158755114
2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole
CID 134001056
3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine
CID 61421837
N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine
CID 62425656

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole (CID 61256786) is 2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole is ClCc1ccc(N2CCN(c3nccs3)CC2)nn1.
What is the InChIKey of 2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is JNTDKRPIIMUXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5S/c13-9-10-1-2-11(16-15-10)17-4-6-18(7-5-17)12-14-3-8-19-12/h1-3,8H,4-7,9H2.
What are the key properties of 2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole?
2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 295.80 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 61256786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).