(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

C19H19N5OS — CID 121060440

IUPAC(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C19H19N5OS/c1-14-17(26-18(21-14)15-6-3-2-4-7-15)19(25)24-12-10-23(11-13-24)16-8-5-9-20-22-16/h2-9H,10-13H2,1H3
InChIKeySAUVGGXUZWLQON-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.87
Rot. Bonds3

About (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (PubChem CID 121060440) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
PubChem CID121060440
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C19H19N5OS/c1-14-17(26-18(21-14)15-6-3-2-4-7-15)19(25)24-12-10-23(11-13-24)16-8-5-9-20-22-16/h2-9H,10-13H2,1H3
InChIKeySAUVGGXUZWLQON-UHFFFAOYSA-N
XLogP2.87
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70702944
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110417362
cyclopentyl-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 38391292
4-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 119250782
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080857
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31700706
2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 46637225
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30469221
(3-methoxyphenyl)-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 55574894
(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 46655050

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (CID 121060440) is (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cccnn2)CC1.
What is the InChIKey of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The InChIKey is SAUVGGXUZWLQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-14-17(26-18(21-14)15-6-3-2-4-7-15)19(25)24-12-10-23(11-13-24)16-8-5-9-20-22-16/h2-9H,10-13H2,1H3.
What are the key properties of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone has a molecular weight of 365.46 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 121060440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).