2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole

C11H12ClN3OS — CID 106923554

IUPAC2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2nnc(Cl)c(C)c2C)oc1C
InChIInChI=1S/C11H12ClN3OS/c1-5-6(2)10(15-14-9(5)12)17-11-13-7(3)8(4)16-11/h1-4H3
InChIKeyPZPIYVXHPLRVTB-UHFFFAOYSA-N
MW269.76 g/mol
LogP3.50
Rot. Bonds2

About 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole

2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole (PubChem CID 106923554) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
PubChem CID106923554
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2nnc(Cl)c(C)c2C)oc1C
InChIInChI=1S/C11H12ClN3OS/c1-5-6(2)10(15-14-9(5)12)17-11-13-7(3)8(4)16-11/h1-4H3
InChIKeyPZPIYVXHPLRVTB-UHFFFAOYSA-N
XLogP3.50
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923557
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 106928644
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923495
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile
CID 84586916
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923542
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile
CID 106922431
2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106924228
4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole
CID 84593435
3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine
CID 63272351
3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine
CID 63272578
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-methylpyrimidin-2-yl]hydrazine
CID 106928882
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
CID 106921700

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole (CID 106923554) is 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole is Cc1nc(Sc2nnc(Cl)c(C)c2C)oc1C.
What is the InChIKey of 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The InChIKey is PZPIYVXHPLRVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-5-6(2)10(15-14-9(5)12)17-11-13-7(3)8(4)16-11/h1-4H3.
What are the key properties of 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole has a molecular weight of 269.76 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106923554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).