4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole

C16H12F2N2OS — CID 8964182

IUPAC4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole
SMILESCc1sc(-c2ccccn2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H12F2N2OS/c1-10-14(11-5-7-12(8-6-11)21-16(17)18)20-15(22-10)13-4-2-3-9-19-13/h2-9,16H,1H3
InChIKeyOLFCDSQIOVXDNY-UHFFFAOYSA-N
MW318.35 g/mol
LogP4.78
Rot. Bonds4

About 4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole

4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole (PubChem CID 8964182) has the molecular formula C16H12F2N2OS and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole
PubChem CID8964182
Molecular FormulaC16H12F2N2OS
Molecular Weight318.35 g/mol
Exact Mass318.06
IUPAC Name4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole
SMILESCc1sc(-c2ccccn2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H12F2N2OS/c1-10-14(11-5-7-12(8-6-11)21-16(17)18)20-15(22-10)13-4-2-3-9-19-13/h2-9,16H,1H3
InChIKeyOLFCDSQIOVXDNY-UHFFFAOYSA-N
XLogP4.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole
CID 4822801
5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 58200580
4,5-bis(4-methoxyphenyl)-2-pyridin-2-yl-1,3-thiazole
CID 15076241
4,5-dimethyl-2-pyridin-2-yl-1,3-thiazole
CID 58923237
N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 9356434
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60553886
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119693574
(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate
CID 4313462
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
CID 60620546
2-[[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 2123394
5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole
CID 102458611
ethyl 2-ethoxycarbonyloxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate
CID 58200499

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole (CID 8964182) is 4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole is Cc1sc(-c2ccccn2)nc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is OLFCDSQIOVXDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2OS/c1-10-14(11-5-7-12(8-6-11)21-16(17)18)20-15(22-10)13-4-2-3-9-19-13/h2-9,16H,1H3.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole?
4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 318.35 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 8964182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).