1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone

C16H20ClN5OS — CID 139548175

IUPAC1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(C)c1nc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cs1
InChIInChI=1S/C16H20ClN5OS/c1-11(2)16-18-12(10-24-16)9-15(23)22-7-5-21(6-8-22)14-4-3-13(17)19-20-14/h3-4,10-11H,5-9H2,1-2H3
InChIKeyRZMVRPVOVNXEKZ-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.60
Rot. Bonds4

About 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone

1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 139548175) has the molecular formula C16H20ClN5OS and a molecular weight of 365.89 g/mol. Its IUPAC name is 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID139548175
Molecular FormulaC16H20ClN5OS
Molecular Weight365.89 g/mol
Exact Mass365.11
IUPAC Name1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(C)c1nc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cs1
InChIInChI=1S/C16H20ClN5OS/c1-11(2)16-18-12(10-24-16)9-15(23)22-7-5-21(6-8-22)14-4-3-13(17)19-20-14/h3-4,10-11H,5-9H2,1-2H3
InChIKeyRZMVRPVOVNXEKZ-UHFFFAOYSA-N
XLogP2.60
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 55685875
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 111429992
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone
CID 155161520
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]ethanone
CID 160987829
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]ethanone
CID 86964980
2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 78873841
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone
CID 142616895
(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
CID 94111233
ethyl 4-[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110450870
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 82547942
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 82511924
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 139547947

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone (CID 139548175) is 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone is CC(C)c1nc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cs1.
What is the InChIKey of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is RZMVRPVOVNXEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5OS/c1-11(2)16-18-12(10-24-16)9-15(23)22-7-5-21(6-8-22)14-4-3-13(17)19-20-14/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 365.89 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 139548175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).