5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole

C19H13ClF3N3OS — CID 143433844

IUPAC5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(C(F)(F)F)nc2)sc1COc1ccc(C2=NC2)c(Cl)c1
InChIInChI=1S/C19H13ClF3N3OS/c1-10-16(9-27-12-3-4-13(14(20)6-12)15-8-24-15)28-18(26-10)11-2-5-17(25-7-11)19(21,22)23/h2-7H,8-9H2,1H3
InChIKeyVTWVIRMOGPUUCZ-UHFFFAOYSA-N
MW423.85 g/mol
LogP5.57
Rot. Bonds5

About 5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole

5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole (PubChem CID 143433844) has the molecular formula C19H13ClF3N3OS and a molecular weight of 423.85 g/mol. Its IUPAC name is 5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
PubChem CID143433844
Molecular FormulaC19H13ClF3N3OS
Molecular Weight423.85 g/mol
Exact Mass423.04
IUPAC Name5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(C(F)(F)F)nc2)sc1COc1ccc(C2=NC2)c(Cl)c1
InChIInChI=1S/C19H13ClF3N3OS/c1-10-16(9-27-12-3-4-13(14(20)6-12)15-8-24-15)28-18(26-10)11-2-5-17(25-7-11)19(21,22)23/h2-7H,8-9H2,1H3
InChIKeyVTWVIRMOGPUUCZ-UHFFFAOYSA-N
XLogP5.57
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.85
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole with MolForge

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Related Compounds

N-butyl-N-[3-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]propyl]butan-1-amine;hydrate;hydrochloride
CID 49860354
Ethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 90643519
4-(4-Chlorophenyl)-2-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,3-thiazole
CID 118709510
4-[4-(Cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridyl)thiazole
CID 118709519
4-[4-(2-Methoxyethoxy)phenyl]-2-(2-propyl-4-pyridyl)thiazole
CID 118709520
3-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]pyridine
CID 727309
Quorum sensing-IN-6
CID 165430617
2-[6-(4-Chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole
CID 2746092
4-(4-Chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-1,3-thiazole
CID 2746093
2-chloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine
CID 146291322
CID 146291323
CID 146291323
2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine
CID 146293577

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole (CID 143433844) is 5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole is Cc1nc(-c2ccc(C(F)(F)F)nc2)sc1COc1ccc(C2=NC2)c(Cl)c1.
What is the InChIKey of 5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The InChIKey is VTWVIRMOGPUUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3OS/c1-10-16(9-27-12-3-4-13(14(20)6-12)15-8-24-15)28-18(26-10)11-2-5-17(25-7-11)19(21,22)23/h2-7H,8-9H2,1H3.
What are the key properties of 5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole has a molecular weight of 423.85 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2H-azirin-3-yl)-3-chlorophenoxy]methyl]-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 143433844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).